Glycoside
GD122679
Name:
methyl 2-(1-hydroxy-4a,8-dimethyl-7-oxo-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphthalen-2-yl)prop-2-enoateFormula:
C22H34O10Smiles:
C=C(C(=O)OC)C1CCC2(C)C(OC3OC(CO)C(O)C(O)C3O)CC(=O)C(C)C2C1OAglycone:
C=C(C(=O)OC)C1CCC2(C)C(O)CC(=O)C(C)C2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 458.5 | Num_heavy_atoms: | 32 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD49460
Formula: C16H24O5
Smiles:
C=C(C(=O)OC)C1CCC2(C)C(O)CC(=O)C(C)C2C1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 296.36 | Num_heavy_atoms: | 21 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
