Glycoside
GD118229
Name:
6-hydroxy-4a,5-dimethyl-3-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-ylidene)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-oneFormula:
C21H32O8Smiles:
CC(COC1OC(CO)C(O)C(O)C1O)=C1CC2(C)C(=CC1=O)CCC(O)C2CAglycone:
CC(CO)=C1CC2(C)C(=CC1=O)CCC(O)C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 4 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD47250
Formula: C15H22O3
Smiles:
CC(CO)=C1CC2(C)C(=CC1=O)CCC(O)C2C| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
