(3S,4R)-2-[4-[(7S,9S,13R,16S)-6-hydroxy-16-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(3S,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylidenebutoxy]-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

C154H252O69 — CID 158136782

About (3S,4R)-2-[4-[(7S,9S,13R,16S)-6-hydroxy-16-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(3S,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylidenebutoxy]-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

(3S,4R)-2-[4-[(7S,9S,13R,16S)-6-hydroxy-16-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(3S,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylidenebutoxy]-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol (PubChem CID 158136782) has the molecular formula C154H252O69 and a molecular weight of 3207.64 g/mol. Its IUPAC name is (3S,4R)-2-[4-[(7S,9S,13R,16S)-6-hydroxy-16-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(3S,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylidenebutoxy]-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.

Molecular Properties

• Compound Name: (3S,4R)-2-[4-[(7S,9S,13R,16S)-6-hydroxy-16-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(3S,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylidenebutoxy]-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• PubChem CID: 158136782
• Molecular Formula: C154H252O69
• Molecular Weight: 3207.64 g/mol
• Exact Mass: 3205.62
• IUPAC Name: (3S,4R)-2-[4-[(7S,9S,13R,16S)-6-hydroxy-16-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(3S,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylidenebutoxy]-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• SMILES: C=C(CCC1(O)OC2CC3C4CC=C5C[C@@H](OC6OC(CO)C(OC7OC(CO)C(O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6OC6OC(C)C(O)[C@H](O)[C@@H]6O)CC[C@]5(C)C4CC[C@]3(C)C2C1C)COC1(C)OC(CO)C(O)[C@@H](O)[C@@H]1O.CC1OC(O[C@@H]2C(O[C@H]3CC[C@@]4(C)C(=CCC5C6CC7OC(O)(CC[C@@H](C)COC8OC(CO)C(O)[C@@H](O)[C@@H]8O)C(C)C7[C@@]6(C)CCC54)C3)OC(CO)C(OC3OC(CO)C(O)[C@@H](O)[C@@H]3O)[C@H]2O)[C@@H](O)[C@@H](O)C1O.CC1OC(O[C@@H]2C(O[C@H]3CC[C@@]4(C)C(=CCC5C6CC7OC(O)(CC[C@H](C)COC8OC(CO)C(O)[C@@H](O)[C@@H]8O)C(C)C7[C@@]6(C)CCC54)C3)OC(CO)C(OC3OC(CO)C(O)[C@@H](O)[C@@H]3O)[C@H]2O)[C@@H](O)[C@@H](O)C1O
• InChI: InChI=1S/C52H84O23.2C51H84O23/c1-21(20-67-51(6)45(65)39(61)36(58)31(18-54)74-51)9-14-52(66)22(2)33-29(75-52)16-28-26-8-7-24-15-25(10-12-49(24,4)27(26)11-13-50(28,33)5)69-48-44(73-46-40(62)37(59)34(56)23(3)68-46)42(64)43(32(19-55)71-48)72-47-41(63)38(60)35(57)30(17-53)70-47;2*1-20(19-66-45-39(61)37(59)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-40(62)36(58)33(55)22(3)67-46)42(64)43(31(18-54)71-48)72-47-41(63)38(60)35(57)30(17-53)70-47/h7,22-23,25-48,53-66H,1,8-20H2,2-6H3;2*6,20-22,24-48,52-65H,7-19H2,1-5H3/t22?,23?,25-,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37-,38+,39+,40-,41-,42+,43?,44-,45-,46?,47?,48?,49-,50-,51?,52?;20-,21?,22?,24+,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36+,37-,38-,39+,40+,41+,42-,43?,44+,45?,46?,47?,48?,49+,50+,51?;20-,21?,22?,24-,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36-,37+,38+,39-,40-,41-,42+,43?,44-,45?,46?,47?,48?,49-,50-,51?/m010/s1
• InChIKey: FTLBAUQXRGUPFL-HYHNRXKISA-N
• XLogP: -8.71
• TPSA: 1098.87 Ų
• H-Bond Donors: 42
• H-Bond Acceptors: 69
• Rotatable Bonds: 45
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3207.64
LogP ≤ 5	-8.71
H-Bond Donors ≤ 5	42
H-Bond Acceptors ≤ 10	69

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-2-[4-[(7S,9S,13R,16S)-6-hydroxy-16-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(3S,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylidenebutoxy]-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol?

The IUPAC name of (3S,4R)-2-[4-[(7S,9S,13R,16S)-6-hydroxy-16-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(3S,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylidenebutoxy]-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CID 158136782) is (3S,4R)-2-[4-[(7S,9S,13R,16S)-6-hydroxy-16-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(3S,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylidenebutoxy]-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.

What is the SMILES notation for (3S,4R)-2-[4-[(7S,9S,13R,16S)-6-hydroxy-16-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(3S,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylidenebutoxy]-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol?

The canonical SMILES for (3S,4R)-2-[4-[(7S,9S,13R,16S)-6-hydroxy-16-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(3S,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylidenebutoxy]-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol is C=C(CCC1(O)OC2CC3C4CC=C5C[C@@H](OC6OC(CO)C(OC7OC(CO)C(O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6OC6OC(C)C(O)[C@H](O)[C@@H]6O)CC[C@]5(C)C4CC[C@]3(C)C2C1C)COC1(C)OC(CO)C(O)[C@@H](O)[C@@H]1O.CC1OC(O[C@@H]2C(O[C@H]3CC[C@@]4(C)C(=CCC5C6CC7OC(O)(CC[C@@H](C)COC8OC(CO)C(O)[C@@H](O)[C@@H]8O)C(C)C7[C@@]6(C)CCC54)C3)OC(CO)C(OC3OC(CO)C(O)[C@@H](O)[C@@H]3O)[C@H]2O)[C@@H](O)[C@@H](O)C1O.CC1OC(O[C@@H]2C(O[C@H]3CC[C@@]4(C)C(=CCC5C6CC7OC(O)(CC[C@H](C)COC8OC(CO)C(O)[C@@H](O)[C@@H]8O)C(C)C7[C@@]6(C)CCC54)C3)OC(CO)C(OC3OC(CO)C(O)[C@@H](O)[C@@H]3O)[C@H]2O)[C@@H](O)[C@@H](O)C1O.

What is the InChIKey of (3S,4R)-2-[4-[(7S,9S,13R,16S)-6-hydroxy-16-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(3S,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylidenebutoxy]-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol?

The InChIKey is FTLBAUQXRGUPFL-HYHNRXKISA-N. The full InChI is InChI=1S/C52H84O23.2C51H84O23/c1-21(20-67-51(6)45(65)39(61)36(58)31(18-54)74-51)9-14-52(66)22(2)33-29(75-52)16-28-26-8-7-24-15-25(10-12-49(24,4)27(26)11-13-50(28,33)5)69-48-44(73-46-40(62)37(59)34(56)23(3)68-46)42(64)43(32(19-55)71-48)72-47-41(63)38(60)35(57)30(17-53)70-47;2*1-20(19-66-45-39(61)37(59)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-40(62)36(58)33(55)22(3)67-46)42(64)43(31(18-54)71-48)72-47-41(63)38(60)35(57)30(17-53)70-47/h7,22-23,25-48,53-66H,1,8-20H2,2-6H3;2*6,20-22,24-48,52-65H,7-19H2,1-5H3/t22?,23?,25-,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37-,38+,39+,40-,41-,42+,43?,44-,45-,46?,47?,48?,49-,50-,51?,52?;20-,21?,22?,24+,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36+,37-,38-,39+,40+,41+,42-,43?,44+,45?,46?,47?,48?,49+,50+,51?;20-,21?,22?,24-,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36-,37+,38+,39-,40-,41-,42+,43?,44-,45?,46?,47?,48?,49-,50-,51?/m010/s1.

What are the key properties of (3S,4R)-2-[4-[(7S,9S,13R,16S)-6-hydroxy-16-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(3S,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylidenebutoxy]-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol?

(3S,4R)-2-[4-[(7S,9S,13R,16S)-6-hydroxy-16-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(3S,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylidenebutoxy]-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol has a molecular weight of 3207.64 g/mol, XLogP of -8.71, 45 rotatable bonds, 42 hydrogen bond donors, and 69 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-2-[4-[(7S,9S,13R,16S)-6-hydroxy-16-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(3S,4S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl]-2-methylidenebutoxy]-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;(3S,4S)-2-[(3S,4R)-4-hydroxy-6-(hydroxymethyl)-2-[[(7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[(3S,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 158136782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).