Glycoside
...
GD117085

Name:
10-({4-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl)oxy]-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:
C52H84O21

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OCC(O)C(OC8OCC(O)(CO)C8O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(OC3OCC(O)(CO)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 9
HBD: 12 FractionCSP3: 0.94
AlogP: -0.19 Num_rotatable_bonds: 12
MolWt: 1045.22 Num_heavy_atoms: 73
TPSA: 333.67 NumAromaticRings: 0

Unique Aglycone
AD00086
Formula: C30H48O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.23 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD04981

OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OCC(O)C(OC3OCC(O)(CO)C3O)C2O)C(O)C(O)C1O