Glycoside
GD021830
Name:
4-[(4-hydroxy-3-methoxyphenyl)({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-oneFormula:
C26H32O12Smiles:
COc1cc(C[C@@H]2C(=O)OC[C@H]2[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2ccc(O)c(OC)c2)ccc1OAglycone:
COc1cc(CC2C(=O)OCC2C(O)c2ccc(O)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 536.53 | Num_heavy_atoms: | 38 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD14864
Formula: C20H22O7
Smiles:
COc1cc(CC2C(=O)OCC2C(O)c2ccc(O)c(OC)c2)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 374.39 | Num_heavy_atoms: | 27 |
| TPSA: | 105.45 | NumAromaticRings: | 2 |
