Glycoside
...
GD136004

Name:
11-(benzyloxy)-4-hydroxy-2,9-bis(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-6-pentyl-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:
C47H72O11

Smiles:
CCCCCC1CC2(C(=O)O)C(O)CC(C)(CO)CC2C2=CCC3C4(C)CC(OCc5ccccc5)C(OC5OCC(O)C(O)C5O)C(C)(CO)C4CCC3(C)C21C

Aglycone:
CCCCCC1CC2(C(=O)O)C(O)CC(C)(CO)CC2C2=CCC3C4(C)CC(OCc5ccccc5)C(O)C(C)(CO)C4CCC3(C)C21C

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 7
HBD: 7 FractionCSP3: 0.81
AlogP: 5.61 Num_rotatable_bonds: 12
MolWt: 813.08 Num_heavy_atoms: 58
TPSA: 186.37 NumAromaticRings: 1

Unique Aglycone
AD54980
Formula: C42H64O7

Smiles:
CCCCCC1CC2(C(=O)O)C(O)CC(C)(CO)CC2C2=CCC3C4(C)CC(OCc5ccccc5)C(O)C(C)(CO)C4CCC3(C)C21C
HBA: 7 RingCount: 6
HBD: 5 FractionCSP3: 0.79
AlogP: 7.15 Num_rotatable_bonds: 10
MolWt: 680.97 Num_heavy_atoms: 49
TPSA: 127.45 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O