4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-N-[4-methyl-2-oxo-3-(2-oxopropyl)chromen-7-yl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide

C177H247N5O23 — CID 159553969

About 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-N-[4-methyl-2-oxo-3-(2-oxopropyl)chromen-7-yl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide

4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-N-[4-methyl-2-oxo-3-(2-oxopropyl)chromen-7-yl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide (PubChem CID 159553969) has the molecular formula C177H247N5O23 and a molecular weight of 2812.93 g/mol. Its IUPAC name is 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-N-[4-methyl-2-oxo-3-(2-oxopropyl)chromen-7-yl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide.

Molecular Properties

• Compound Name: 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-N-[4-methyl-2-oxo-3-(2-oxopropyl)chromen-7-yl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
• PubChem CID: 159553969
• Molecular Formula: C177H247N5O23
• Molecular Weight: 2812.93 g/mol
• Exact Mass: 2810.83
• IUPAC Name: 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-N-[4-methyl-2-oxo-3-(2-oxopropyl)chromen-7-yl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide
• SMILES: C=C1C=C(C)c2ccc(NC(=O)CCC(C)C3CCC4C5C(O)CC6CC(O)CCC6(C)C5CCC34C)cc2O1.C=C1C=C(C)c2ccc(NC(=O)CCC(C)C3CCC4C5CCC6CC(O)CCC6(C)C5CC(O)C34C)cc2O1.C=C1C=C(C)c2ccc(NC(=O)CC[C@@H](C)[C@H]3CC[C@H]4[C@@H]5C(O)C[C@@H]6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2O1.C=C1C=C(C)c2ccc(NC(=O)CC[C@@H](C)[C@H]3CC[C@H]4[C@@H]5CC[C@@H]6C[C@H](O)CC[C@]6(C)[C@H]5CC(O)[C@]34C)cc2O1.CC(=O)Cc1c(C)c2ccc(NC(=O)CC[C@@H](C)[C@H]3CC[C@H]4[C@@H]5[C@H](O)C[C@@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H](O)[C@]34C)cc2oc1=O
• InChI: InChI=1S/C37H51NO7.4C35H49NO4/c1-19(6-11-33(43)38-23-7-8-25-21(3)26(14-20(2)39)35(44)45-31(25)17-23)27-9-10-28-34-29(18-32(42)37(27,28)5)36(4)13-12-24(40)15-22(36)16-30(34)41;2*1-20(6-13-33(39)36-24-8-10-26-21(2)16-22(3)40-31(26)18-24)28-11-12-29-27-9-7-23-17-25(37)14-15-34(23,4)30(27)19-32(38)35(28,29)5;2*1-20(6-11-32(39)36-24-7-8-26-21(2)16-22(3)40-31(26)19-24)27-9-10-28-33-29(13-15-35(27,28)5)34(4)14-12-25(37)17-23(34)18-30(33)38/h7-8,17,19,22,24,27-30,32,34,40-42H,6,9-16,18H2,1-5H3,(H,38,43);2*8,10,16,18,20,23,25,27-30,32,37-38H,3,6-7,9,11-15,17,19H2,1-2,4-5H3,(H,36,39);2*7-8,16,19-20,23,25,27-30,33,37-38H,3,6,9-15,17-18H2,1-2,4-5H3,(H,36,39)/t19-,22+,24-,27-,28+,29+,30-,32+,34+,36+,37-;20-,23-,25-,27+,28-,29+,30+,32?,34+,35-;;20-,23+,25-,27-,28+,29+,30?,33+,34+,35-;/m11.1./s1
• InChIKey: MFTHWDWLABYKOH-VQELBUBBSA-N
• XLogP: 34.91
• TPSA: 452.23 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2812.93
LogP ≤ 5	34.91
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-N-[4-methyl-2-oxo-3-(2-oxopropyl)chromen-7-yl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide?

The IUPAC name of 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-N-[4-methyl-2-oxo-3-(2-oxopropyl)chromen-7-yl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide (CID 159553969) is 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-N-[4-methyl-2-oxo-3-(2-oxopropyl)chromen-7-yl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide.

What is the SMILES notation for 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-N-[4-methyl-2-oxo-3-(2-oxopropyl)chromen-7-yl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide?

The canonical SMILES for 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-N-[4-methyl-2-oxo-3-(2-oxopropyl)chromen-7-yl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide is C=C1C=C(C)c2ccc(NC(=O)CCC(C)C3CCC4C5C(O)CC6CC(O)CCC6(C)C5CCC34C)cc2O1.C=C1C=C(C)c2ccc(NC(=O)CCC(C)C3CCC4C5CCC6CC(O)CCC6(C)C5CC(O)C34C)cc2O1.C=C1C=C(C)c2ccc(NC(=O)CC[C@@H](C)[C@H]3CC[C@H]4[C@@H]5C(O)C[C@@H]6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)cc2O1.C=C1C=C(C)c2ccc(NC(=O)CC[C@@H](C)[C@H]3CC[C@H]4[C@@H]5CC[C@@H]6C[C@H](O)CC[C@]6(C)[C@H]5CC(O)[C@]34C)cc2O1.CC(=O)Cc1c(C)c2ccc(NC(=O)CC[C@@H](C)[C@H]3CC[C@H]4[C@@H]5[C@H](O)C[C@@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H](O)[C@]34C)cc2oc1=O.

What is the InChIKey of 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-N-[4-methyl-2-oxo-3-(2-oxopropyl)chromen-7-yl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide?

The InChIKey is MFTHWDWLABYKOH-VQELBUBBSA-N. The full InChI is InChI=1S/C37H51NO7.4C35H49NO4/c1-19(6-11-33(43)38-23-7-8-25-21(3)26(14-20(2)39)35(44)45-31(25)17-23)27-9-10-28-34-29(18-32(42)37(27,28)5)36(4)13-12-24(40)15-22(36)16-30(34)41;2*1-20(6-13-33(39)36-24-8-10-26-21(2)16-22(3)40-31(26)18-24)28-11-12-29-27-9-7-23-17-25(37)14-15-34(23,4)30(27)19-32(38)35(28,29)5;2*1-20(6-11-32(39)36-24-7-8-26-21(2)16-22(3)40-31(26)19-24)27-9-10-28-33-29(13-15-35(27,28)5)34(4)14-12-25(37)17-23(34)18-30(33)38/h7-8,17,19,22,24,27-30,32,34,40-42H,6,9-16,18H2,1-5H3,(H,38,43);2*8,10,16,18,20,23,25,27-30,32,37-38H,3,6-7,9,11-15,17,19H2,1-2,4-5H3,(H,36,39);2*7-8,16,19-20,23,25,27-30,33,37-38H,3,6,9-15,17-18H2,1-2,4-5H3,(H,36,39)/t19-,22+,24-,27-,28+,29+,30-,32+,34+,36+,37-;20-,23-,25-,27+,28-,29+,30+,32?,34+,35-;;20-,23+,25-,27-,28+,29+,30?,33+,34+,35-;/m11.1./s1.

What are the key properties of 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-N-[4-methyl-2-oxo-3-(2-oxopropyl)chromen-7-yl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide?

4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-N-[4-methyl-2-oxo-3-(2-oxopropyl)chromen-7-yl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide has a molecular weight of 2812.93 g/mol, XLogP of 34.91, 27 rotatable bonds, 16 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-(4-methyl-2-methylidenechromen-7-yl)pentanamide;(4R)-N-[4-methyl-2-oxo-3-(2-oxopropyl)chromen-7-yl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide is sourced from PubChem (CID 159553969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).