(2S,3R)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(R)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S)-2-hydroxy-N-[(S)-[(2S,4R,6R)-4-hydroxy-6-[(2R)-2-methoxybutyl]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide

C118H186N4O41 — CID 158996671

About (2S,3R)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(R)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S)-2-hydroxy-N-[(S)-[(2S,4R,6R)-4-hydroxy-6-[(2R)-2-methoxybutyl]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide

(2S,3R)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(R)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S)-2-hydroxy-N-[(S)-[(2S,4R,6R)-4-hydroxy-6-[(2R)-2-methoxybutyl]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide (PubChem CID 158996671) has the molecular formula C118H186N4O41 and a molecular weight of 2316.77 g/mol. Its IUPAC name is (2S,3R)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(R)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S)-2-hydroxy-N-[(S)-[(2S,4R,6R)-4-hydroxy-6-[(2R)-2-methoxybutyl]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide.

Molecular Properties

• Compound Name: (2S,3R)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(R)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S)-2-hydroxy-N-[(S)-[(2S,4R,6R)-4-hydroxy-6-[(2R)-2-methoxybutyl]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
• PubChem CID: 158996671
• Molecular Formula: C118H186N4O41
• Molecular Weight: 2316.77 g/mol
• Exact Mass: 2315.26
• IUPAC Name: (2S,3R)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(R)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S)-2-hydroxy-N-[(S)-[(2S,4R,6R)-4-hydroxy-6-[(2R)-2-methoxybutyl]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
• SMILES: C=C(C)C[C@@H](OC)[C@H](O)C(=O)N[C@@H](OC)[C@@H]1C[C@@H](O)C(C)(C)[C@@H](C[C@H](O)[C@@H](C)C2Cc3c(C)c(O)cc(O)c3C(=O)O2)O1.C=C(C)C[C@H](OC)[C@H](O)C(=O)NC(OC)[C@@H]1C[C@@H](O)C(C)(C)[C@@H](C[C@H](O)[C@@H](C)C2Cc3c(C)c(O)cc(O)c3C(=O)O2)O1.C=C(C)C[C@H](OC)[C@H](O)C(=O)N[C@@H](OC)[C@@H]1C[C@@H](O)C(C)(C)[C@@H](C[C@H](O)[C@@H](C)C2Cc3c(C)c(O)cc(O)c3C(=O)O2)O1.C=C1C[C@](OC)([C@H](O)C(=O)N[C@@H](OC)[C@@H]2C[C@@H](O)C(C)(C)[C@@H](C[C@@H](CC)OC)O2)OC(C)C1C
• InChI: InChI=1S/3C31H47NO11.C25H45NO8/c3*1-14(2)9-22(40-7)27(37)28(38)32-29(41-8)23-13-24(36)31(5,6)25(42-23)12-19(34)16(4)21-10-17-15(3)18(33)11-20(35)26(17)30(39)43-21;1-10-17(30-7)11-20-24(5,6)19(27)12-18(33-20)23(31-8)26-22(29)21(28)25(32-9)13-14(2)15(3)16(4)34-25/h3*11,16,19,21-25,27,29,33-37H,1,9-10,12-13H2,2-8H3,(H,32,38);15-21,23,27-28H,2,10-13H2,1,3-9H3,(H,26,29)/t16-,19+,21?,22+,23+,24-,25-,27+,29?;16-,19+,21?,22+,23+,24-,25-,27+,29+;16-,19+,21?,22-,23+,24-,25-,27+,29+;15?,16?,17-,18+,19-,20-,21-,23+,25-/m1111/s1
• InChIKey: JQVAOIZXMBFVIW-LSFCYZHMSA-N
• XLogP: 7.69
• TPSA: 668.43 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 41
• Rotatable Bonds: 46
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2316.77
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(R)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S)-2-hydroxy-N-[(S)-[(2S,4R,6R)-4-hydroxy-6-[(2R)-2-methoxybutyl]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?

The IUPAC name of (2S,3R)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(R)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S)-2-hydroxy-N-[(S)-[(2S,4R,6R)-4-hydroxy-6-[(2R)-2-methoxybutyl]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide (CID 158996671) is (2S,3R)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(R)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S)-2-hydroxy-N-[(S)-[(2S,4R,6R)-4-hydroxy-6-[(2R)-2-methoxybutyl]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide.

What is the SMILES notation for (2S,3R)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(R)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S)-2-hydroxy-N-[(S)-[(2S,4R,6R)-4-hydroxy-6-[(2R)-2-methoxybutyl]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?

The canonical SMILES for (2S,3R)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(R)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S)-2-hydroxy-N-[(S)-[(2S,4R,6R)-4-hydroxy-6-[(2R)-2-methoxybutyl]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide is C=C(C)C[C@@H](OC)[C@H](O)C(=O)N[C@@H](OC)[C@@H]1C[C@@H](O)C(C)(C)[C@@H](C[C@H](O)[C@@H](C)C2Cc3c(C)c(O)cc(O)c3C(=O)O2)O1.C=C(C)C[C@H](OC)[C@H](O)C(=O)NC(OC)[C@@H]1C[C@@H](O)C(C)(C)[C@@H](C[C@H](O)[C@@H](C)C2Cc3c(C)c(O)cc(O)c3C(=O)O2)O1.C=C(C)C[C@H](OC)[C@H](O)C(=O)N[C@@H](OC)[C@@H]1C[C@@H](O)C(C)(C)[C@@H](C[C@H](O)[C@@H](C)C2Cc3c(C)c(O)cc(O)c3C(=O)O2)O1.C=C1C[C@](OC)([C@H](O)C(=O)N[C@@H](OC)[C@@H]2C[C@@H](O)C(C)(C)[C@@H](C[C@@H](CC)OC)O2)OC(C)C1C.

What is the InChIKey of (2S,3R)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(R)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S)-2-hydroxy-N-[(S)-[(2S,4R,6R)-4-hydroxy-6-[(2R)-2-methoxybutyl]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?

The InChIKey is JQVAOIZXMBFVIW-LSFCYZHMSA-N. The full InChI is InChI=1S/3C31H47NO11.C25H45NO8/c3*1-14(2)9-22(40-7)27(37)28(38)32-29(41-8)23-13-24(36)31(5,6)25(42-23)12-19(34)16(4)21-10-17-15(3)18(33)11-20(35)26(17)30(39)43-21;1-10-17(30-7)11-20-24(5,6)19(27)12-18(33-20)23(31-8)26-22(29)21(28)25(32-9)13-14(2)15(3)16(4)34-25/h3*11,16,19,21-25,27,29,33-37H,1,9-10,12-13H2,2-8H3,(H,32,38);15-21,23,27-28H,2,10-13H2,1,3-9H3,(H,26,29)/t16-,19+,21?,22+,23+,24-,25-,27+,29?;16-,19+,21?,22+,23+,24-,25-,27+,29+;16-,19+,21?,22-,23+,24-,25-,27+,29+;15?,16?,17-,18+,19-,20-,21-,23+,25-/m1111/s1.

What are the key properties of (2S,3R)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(R)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S)-2-hydroxy-N-[(S)-[(2S,4R,6R)-4-hydroxy-6-[(2R)-2-methoxybutyl]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?

(2S,3R)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(R)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S)-2-hydroxy-N-[(S)-[(2S,4R,6R)-4-hydroxy-6-[(2R)-2-methoxybutyl]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide has a molecular weight of 2316.77 g/mol, XLogP of 7.69, 46 rotatable bonds, 21 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(S)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S,3S)-N-[(R)-[(2S,4R,6R)-6-[(2S,3R)-3-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydroisochromen-3-yl)-2-hydroxybutyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-3-methoxy-5-methylhex-5-enamide;(2S)-2-hydroxy-N-[(S)-[(2S,4R,6R)-4-hydroxy-6-[(2R)-2-methoxybutyl]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-[(2R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide is sourced from PubChem (CID 158996671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).