Glycoside
...
GD123707

Name:
10-{[2,3-dihydroxy-5-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl]oxy}-2-(methoxycarbonyl)-2,6a,6b,9,9,12a-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:
C44H70O14

Smiles:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6CC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(C)C5CCC43C)C2C1

Aglycone:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6CC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1

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

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 8 FractionCSP3: 0.91
AlogP: 2.7 Num_rotatable_bonds: 8
MolWt: 823.03 Num_heavy_atoms: 58
TPSA: 232.9 NumAromaticRings: 0

Unique Aglycone
AD49945
Formula: C38H60O9

Smiles:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6CC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
HBA: 9 RingCount: 6
HBD: 5 FractionCSP3: 0.89
AlogP: 4.87 Num_rotatable_bonds: 5
MolWt: 660.89 Num_heavy_atoms: 47
TPSA: 153.75 NumAromaticRings: 0

Sugarmoiety
SD00003

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