Glycoside
GD022883
Name:
MANGLIESIDE BFormula:
C20H28O11Smiles:
C=CCc1ccc(O)c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
C=CCc1ccc(O)c(O)c1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 444.43 | Num_heavy_atoms: | 31 |
| TPSA: | 178.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD15457
Formula: C9H10O2
Smiles:
C=CCc1ccc(O)c(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
