Glycoside
GD116767
Name:
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:
C21H32O7Smiles:
CC(COC1OC(CO)C(O)C(O)C1O)=C1CC2(C)C(=CC1=O)CCCC2CAglycone:
CC(CO)=C1CC2(C)C(=CC1=O)CCCC2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 396.48 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD46440
Formula: C15H22O2
Smiles:
CC(CO)=C1CC2(C)C(=CC1=O)CCCC2C| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 234.34 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
