Glycoside
GD117016
Name:
4-[(3,4-dimethoxyphenyl)methyl]-3-({3-methoxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}methyl)oxolan-2-oneFormula:
C27H34O10Smiles:
COc1ccc(CC2COC(=O)C2Cc2ccc(OC3OC(C)C(O)C(O)C3O)c(OC)c2)cc1OCAglycone:
COc1cc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 518.56 | Num_heavy_atoms: | 37 |
| TPSA: | 133.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD12673
Formula: C21H24O6
Smiles:
COc1cc(CC2C(=O)OCC2Cc2ccc(OC)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 372.42 | Num_heavy_atoms: | 27 |
| TPSA: | 74.22 | NumAromaticRings: | 2 |
