Glycoside
GD035196
Name:
2-(hydroxymethyl)-3-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2H,3H,9H-[1,4]dioxino[2,3-h]chromen-9-oneFormula:
C25H26O12Smiles:
COc1cc([C@@H]2Oc3ccc4ccc(=O)oc4c3O[C@H]2CO)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C2Oc3ccc4ccc(=O)oc4c3OC2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 518.47 | Num_heavy_atoms: | 37 |
| TPSA: | 177.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD22282
Formula: C19H16O7
Smiles:
COc1cc(C2Oc3ccc4ccc(=O)oc4c3OC2CO)ccc1O| HBA: | 7 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 356.33 | Num_heavy_atoms: | 26 |
| TPSA: | 98.36 | NumAromaticRings: | 3 |
