Glycoside
GD118605
Name:
2''-(4'''-Hydroxybenzoyl)-IsoorientinFormula:
C28H24O13Smiles:
O=C(OC1C(c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)OC(CO)C(O)C1O)c1ccc(O)cc1Aglycone:
O=C(O)c1ccc(O)cc1.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.21 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 5 |
| MolWt: | 568.49 | Num_heavy_atoms: | 41 |
| TPSA: | 227.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD00567
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
AD02360
Formula: C7H6O3
Smiles:
O=C(O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.12 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
