Glycoside
GD123627
Name:
3-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-oneFormula:
C29H34O18Smiles:
COc1cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)c(=O)c2c(O)c1OCAglycone:
COc1cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c(O)c1OCSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 9 |
| MolWt: | 670.57 | Num_heavy_atoms: | 47 |
| TPSA: | 287.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD19857
Formula: C17H14O8
Smiles:
COc1cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c(O)c1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
