Glycoside
...
GD116949

Name:
8-hydroxy-1,2,6a,6b,9,12a-hexamethyl-10,11-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-9-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-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:
C48H78O21

Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(OC6OC(CO)C(O)C(O)C6O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(COC6OC(CO)C(O)C(O)C6O)C5C(O)CC43C)C2C1C

Aglycone:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 14 FractionCSP3: 0.94
AlogP: -2.52 Num_rotatable_bonds: 11
MolWt: 991.13 Num_heavy_atoms: 69
TPSA: 355.67 NumAromaticRings: 0

Unique Aglycone
AD16295
Formula: C30H48O6

Smiles:
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC43C)C2C1C
HBA: 6 RingCount: 5
HBD: 5 FractionCSP3: 0.9
AlogP: 4.0 Num_rotatable_bonds: 2
MolWt: 504.71 Num_heavy_atoms: 36
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD00130

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O