Glycoside
GD141223
Name:
Vitexin 7-O-Glucoside 2''-P-CoumarateFormula:
C36H36O17Smiles:
O=C(C=Cc1ccc(O)cc1)OC1C(c2c(OC3OC(CO)C(O)C(O)C3O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)OC(CO)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.33 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 740.67 | Num_heavy_atoms: | 53 |
| TPSA: | 286.5 | NumAromaticRings: | 4 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD00529
Formula: C15H10O5
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 270.24 | Num_heavy_atoms: | 20 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
