Glycoside

GD121583
Name:
3-hydroxy-1,4a-dimethyl-7-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-oneFormula:
C21H32O8Smiles:
C=C(COC1OC(CO)C(O)C(O)C1O)C1CCC2(C)CC(O)C(=O)C(C)=C2C1Aglycone:
C=C(CO)C1CCC2(C)CC(O)C(=O)C(C)=C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 8 | RingCount: | 3 |
HBD: | 5 | FractionCSP3: | 0.76 |
AlogP: | -0.18 | Num_rotatable_bonds: | 5 |
MolWt: | 412.48 | Num_heavy_atoms: | 29 |
TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD48951
Formula: C15H22O3
Smiles:
C=C(CO)C1CCC2(C)CC(O)C(=O)C(C)=C2C1HBA: | 3 | RingCount: | 2 |
HBD: | 2 | FractionCSP3: | 0.67 |
AlogP: | 1.99 | Num_rotatable_bonds: | 2 |
MolWt: | 250.34 | Num_heavy_atoms: | 18 |
TPSA: | 57.53 | NumAromaticRings: | 0 |