Glycoside
GD010890
Name:
2-[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenoxy]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H36O13Smiles:
COc1cc([C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](CO)Oc2c(OC)cc(C=CCO)cc2OC)ccc1OAglycone:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C=CCO)cc2OC)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 13 |
| MolWt: | 568.57 | Num_heavy_atoms: | 40 |
| TPSA: | 196.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD08356
Formula: C21H26O8
Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C=CCO)cc2OC)ccc1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 10 |
| MolWt: | 406.43 | Num_heavy_atoms: | 29 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
