Glycoside
GD023565
Name:
VITEXIN-4'-RHAMNOSIDEFormula:
C27H30O14Smiles:
C[C@@H]1O[C@H](Oc2ccc(-c3cc(=O)c4c(O)cc(O)c([C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)c4o3)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.44 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 239.97 | 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 |
