Glycoside
...
GD135161

Name:
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-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:
C47H76O20

Smiles:
CC1(C)CC2C3=CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:
CC1(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1O

Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 13 FractionCSP3: 0.94
AlogP: -1.74 Num_rotatable_bonds: 10
MolWt: 961.11 Num_heavy_atoms: 67
TPSA: 335.44 NumAromaticRings: 0

Unique Aglycone
AD46389
Formula: C30H48O6

Smiles:
CC1(C)CC2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1O
HBA: 6 RingCount: 5
HBD: 5 FractionCSP3: 0.9
AlogP: 4.15 Num_rotatable_bonds: 2
MolWt: 504.71 Num_heavy_atoms: 36
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD04867

OC1COC(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O