Glycoside
GD021000
Name:
YADANZIOSIDE IFormula:
C29H38O16Smiles:
COC(=O)[C@]12OC[C@@]34[C@H](C[C@@H]5C(C)=C(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(=O)C[C@@]5(C)[C@H]3[C@H](O)[C@H]1O)OC(=O)[C@@H](OC(C)=O)[C@@H]24Aglycone:
COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(C)=O)C24Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | -3.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 642.61 | Num_heavy_atoms: | 45 |
| TPSA: | 245.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD14413
Formula: C23H28O11
Smiles:
COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(C)=O)C24| HBA: | 11 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 480.47 | Num_heavy_atoms: | 34 |
| TPSA: | 165.89 | NumAromaticRings: | 0 |
