Glycoside
...
GD117399

Name:
11-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicene-4a-carboxylic acid

Formula:
C36H56O10

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)C=CC1C2(C)CC(O)C(OC4OC(CO)C(O)C(O)C4O)C(C)(CO)C2CCC13C

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)C=CC1C2(C)CC(O)C(O)C(C)(CO)C2CCC13C

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

Other Identifiers

Properties
HBA: 10 RingCount: 6
HBD: 7 FractionCSP3: 0.86
AlogP: 2.92 Num_rotatable_bonds: 5
MolWt: 648.83 Num_heavy_atoms: 46
TPSA: 177.14 NumAromaticRings: 0

Unique Aglycone
AD46801
Formula: C30H46O5

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=C2C1)C=CC1C2(C)CC(O)C(O)C(C)(CO)C2CCC13C
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 0.83
AlogP: 5.1 Num_rotatable_bonds: 2
MolWt: 486.69 Num_heavy_atoms: 35
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD00003

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