Glycoside
GD131724
Name:
Isorientin 4'-O-Glucoside 2''-O-P-HydroxybenzoateFormula:
C34H34O18Smiles:
O=C(OC1C(c2c(O)cc3oc(-c4ccc(OC5OC(CO)C(O)C(O)C5O)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)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.35 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 730.63 | Num_heavy_atoms: | 52 |
| TPSA: | 306.73 | 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 |
