Glycoside
GD052762
Name:
MelilotosideFormula:
C15H18O8Smiles:
O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OAglycone:
O=C(O)C=Cc1ccccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 326.3 | Num_heavy_atoms: | 23 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD14548
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccccc1O| 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 |
