Glycoside
...
GD154878

Name:
2-(1,2,10-trihydroxy-9-{[4-hydroxy-3-(methoxycarbonyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3a,5a,8,8,11a,13a-hexamethyl-7-oxo-1H,2H,3H,3aH,4H,5H,5aH,7H,7aH,8H,9H,10H,11H,11aH,11bH,12H,13H,13aH,13bH-cyclopenta[a]chrysen-3-yl)propanoic acid

Formula:
C43H66O17

Smiles:
COC(=O)C1C(OC2C(O)CC3(C)C4CCC5(C)C6C(O)C(O)C(C(C)C(=O)O)C6(C)CCC5(C)C4=CC(=O)C3C2(C)C)OCC(OC2OC(CO)C(O)C(O)C2O)C1O

Aglycone:
CC(C(=O)O)C1C(O)C(O)C2C1(C)CCC1(C)C3=CC(=O)C4C(C)(C)C(O)C(O)CC4(C)C3CCC21C

Sugarmoiety:
COC(=O)C1C(O)OCC(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 9 FractionCSP3: 0.88
AlogP: -0.1 Num_rotatable_bonds: 8
MolWt: 854.98 Num_heavy_atoms: 60
TPSA: 279.43 NumAromaticRings: 0

Unique Aglycone
AD61474
Formula: C30H46O7

Smiles:
CC(C(=O)O)C1C(O)C(O)C2C1(C)CCC1(C)C3=CC(=O)C4C(C)(C)C(O)C(O)CC4(C)C3CCC21C
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.87
AlogP: 3.18 Num_rotatable_bonds: 2
MolWt: 518.69 Num_heavy_atoms: 37
TPSA: 135.29 NumAromaticRings: 0

Sugarmoiety
SD10286

COC(=O)C1C(O)OCC(OC2OC(CO)C(O)C(O)C2O)C1O