Glycoside
GD021332
Name:
DEACETYLASPERULOSIDEFormula:
C16H20O10Smiles:
O=C1O[C@@H]2C=C(CO)[C@@H]3[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)OC=C1[C@@H]23Aglycone:
O=C1OC2C=C(CO)C3C(O)OC=C1C23Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 372.33 | Num_heavy_atoms: | 26 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD14606
Formula: C10H10O5
Smiles:
O=C1OC2C=C(CO)C3C(O)OC=C1C23| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 210.19 | Num_heavy_atoms: | 15 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
