Glycoside
...
GD129029

Name:
10-(4a-carboxy-10-hydroxy-1,2,6b,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-6a-carbonyloxy)-1,2,6b,9,9,12a-hexamethyl-6a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-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:
C66H100O14

Smiles:
CC1CCC2(C(=O)O)CCC3(C(=O)OC4CCC5(C)C(CCC6(C)C5CC=C5C7C(C)C(C)CCC7(C(=O)O)CCC56C(=O)OC5OC(CO)C(O)C(O)C5O)C4(C)C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C

Aglycone:
CC1CCC2(C(=O)O)CCC3(C(=O)OC4CCC5(C)C(CCC6(C)C5CC=C5C7C(C)C(C)CCC7(C(=O)O)CCC56C(=O)O)C4(C)C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C

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

Other Identifiers

Properties
HBA: 14 RingCount: 11
HBD: 7 FractionCSP3: 0.88
AlogP: 10.05 Num_rotatable_bonds: 7
MolWt: 1117.51 Num_heavy_atoms: 80
TPSA: 237.58 NumAromaticRings: 0

Unique Aglycone
AD52261
Formula: C60H90O9

Smiles:
CC1CCC2(C(=O)O)CCC3(C(=O)OC4CCC5(C)C(CCC6(C)C5CC=C5C7C(C)C(C)CCC7(C(=O)O)CCC56C(=O)O)C4(C)C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C
HBA: 9 RingCount: 10
HBD: 4 FractionCSP3: 0.87
AlogP: 12.79 Num_rotatable_bonds: 5
MolWt: 955.37 Num_heavy_atoms: 69
TPSA: 158.43 NumAromaticRings: 0

Sugarmoiety
SD00003

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