Glycoside
GD141152
Name:
2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]cyclopentan-1-oneFormula:
C27H34O10Smiles:
COc1cc(CC2C(=O)CCC2Cc2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)ccc1OAglycone:
COc1cc(CC2CCC(=O)C2Cc2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 518.56 | Num_heavy_atoms: | 37 |
| TPSA: | 155.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD56888
Formula: C21H24O5
Smiles:
COc1cc(CC2CCC(=O)C2Cc2ccc(O)c(OC)c2)ccc1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 356.42 | Num_heavy_atoms: | 26 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
