Glycoside
GD138136
Name:
2-(4-{4-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(hydroxymethyl)but-1-en-1-yl}-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H34O11Smiles:
COc1cc(CC(CO)C(=Cc2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)CO)ccc1OAglycone:
COc1cc(C=C(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 11 |
| MolWt: | 522.55 | Num_heavy_atoms: | 37 |
| TPSA: | 178.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD55781
Formula: C20H24O6
Smiles:
COc1cc(C=C(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
