Glycoside
GD022846
Name:
1,4a-dimethyl-7-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-oneFormula:
C21H34O7Smiles:
CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@@]2(C)CCC1=OAglycone:
CC1=C2CC(C(C)(C)O)CCC2(C)CCC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 398.5 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD15435
Formula: C15H24O2
Smiles:
CC1=C2CC(C(C)(C)O)CCC2(C)CCC1=O| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 236.35 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
