Glycoside
GD116719
Name:
5,7-dihydroxy-6,8-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-oneFormula:
C27H30O19Smiles:
O=c1cc(-c2cc(O)c(O)c(O)c2)oc2c(OC3OC(CO)C(O)C(O)C3O)c(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c12Aglycone:
O=c1cc(-c2cc(O)c(O)c(O)c2)oc2c(O)c(O)c(O)c(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.44 |
| AlogP: | -3.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 658.52 | Num_heavy_atoms: | 46 |
| TPSA: | 330.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD46403
Formula: C15H10O9
Smiles:
O=c1cc(-c2cc(O)c(O)c(O)c2)oc2c(O)c(O)c(O)c(O)c12| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.0 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.24 | Num_heavy_atoms: | 24 |
| TPSA: | 171.82 | NumAromaticRings: | 3 |
