Glycoside
...
GD123487

Name:
10-[6-(acetyloxy)-2,2,6-trimethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl]-3,8-dimethyl-1-(2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl)deca-3,7-dien-5-yl acetate

Formula:
C40H64O11

Smiles:
CC(=O)OC(C=C(C)CCC1C(C)=CCC(=O)C1(C)C)CC=C(C)CCC1C(C)(OC(C)=O)CCC(OC2OC(CO)C(O)C(O)C2O)C1(C)C

Aglycone:
CC(=O)OC(C=C(C)CCC1C(C)=CCC(=O)C1(C)C)CC=C(C)CCC1C(C)(OC(C)=O)CCC(O)C1(C)C

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 4 FractionCSP3: 0.78
AlogP: 5.27 Num_rotatable_bonds: 14
MolWt: 720.94 Num_heavy_atoms: 51
TPSA: 169.05 NumAromaticRings: 0

Unique Aglycone
AD49839
Formula: C34H54O6

Smiles:
CC(=O)OC(C=C(C)CCC1C(C)=CCC(=O)C1(C)C)CC=C(C)CCC1C(C)(OC(C)=O)CCC(O)C1(C)C
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.74
AlogP: 7.44 Num_rotatable_bonds: 11
MolWt: 558.8 Num_heavy_atoms: 40
TPSA: 89.9 NumAromaticRings: 0

Sugarmoiety
SD00003

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