Glycoside
...
GD131196

Name:
6-{[8a-({[3-({5-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-4,5,6-trihydroxyoxan-2-yl]oxy}carbonyl)-2,5,8-trihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C57H90O30

Smiles:
CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(CO)C6C(O)CC5(C)C3(C)CC4O)OC(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O.O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 10
HBD: 18 FractionCSP3: 0.93
AlogP: -5.97 Num_rotatable_bonds: 13
MolWt: 1255.32 Num_heavy_atoms: 87
TPSA: 490.58 NumAromaticRings: 0

Unique Aglycone
AD03100
Formula: C30H48O7

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1
HBA: 7 RingCount: 5
HBD: 6 FractionCSP3: 0.9
AlogP: 3.12 Num_rotatable_bonds: 2
MolWt: 520.71 Num_heavy_atoms: 37
TPSA: 138.45 NumAromaticRings: 0

Sugarmoiety
SD07330

CC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(OC2OCC(O)(CO)C2O)C1O.O=C(O)C1OC(O)C(O)C(O)C1O