Glycoside
GD156050
Name:
Vitexin 3''',4'''-Di-O-Acetyl 2''-O-RhamnosideFormula:
C31H34O16Smiles:
CC(=O)OC1C(C)OC(OC2C(c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)OC(CO)C(O)C2O)C(O)C1OC(C)=OAglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(C)OC(OC2C(O)OC(CO)C(O)C2O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 662.6 | Num_heavy_atoms: | 47 |
| TPSA: | 252.11 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
