Glycoside
...
GD146731

Name:
10-[(3,4-dihydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl)oxy]-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-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:
C42H68O12

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6CCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6CCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1

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

Other Identifiers

Properties
HBA: 12 RingCount: 7
HBD: 8 FractionCSP3: 0.93
AlogP: 3.3 Num_rotatable_bonds: 7
MolWt: 764.99 Num_heavy_atoms: 54
TPSA: 206.6 NumAromaticRings: 0

Unique Aglycone
AD58814
Formula: C36H58O7

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6CCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
HBA: 7 RingCount: 6
HBD: 5 FractionCSP3: 0.92
AlogP: 5.48 Num_rotatable_bonds: 4
MolWt: 602.85 Num_heavy_atoms: 43
TPSA: 127.45 NumAromaticRings: 0

Sugarmoiety
SD00003

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