Glycoside
GD146620
Name:
3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-oneFormula:
C28H32O18Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)c(=O)c2c1OAglycone:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1OSugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.46 |
| AlogP: | -2.71 | Num_rotatable_bonds: | 8 |
| MolWt: | 656.55 | Num_heavy_atoms: | 46 |
| TPSA: | 298.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD01718
Formula: C16H12O8
Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.06 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.26 | Num_heavy_atoms: | 24 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
