Glycoside
GD012572
Name:
6-hydroxy-4a,5-dimethyl-3-(1-{[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:
CC(=CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@H](O)[C@H]2CAglycone:
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: | 0.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 412.48 | Num_heavy_atoms: | 29 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD09471
Formula: C15H22O3
Smiles:
CC(=CO)C1CC2(C)C(=CC1=O)CCC(O)C2C| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.34 | Num_heavy_atoms: | 18 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
