Glycoside
GD019763
Name:
YADANZIOSIDE CFormula:
C34H46O17Smiles:
COC(=O)[C@]12OC[C@@]34[C@H](C[C@@H]5[C@H](C)C(=O)C(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)=C[C@@]5(C)[C@H]3[C@H](O)[C@H]1O)OC(=O)[C@@H](OC(=O)C=C(C)C(C)(C)O)[C@@H]24Aglycone:
COC(=O)C12OCC34C(CC5C(C)C(=O)C(O)=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)(C)O)C24Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | -2.62 | Num_rotatable_bonds: | 7 |
| MolWt: | 726.73 | Num_heavy_atoms: | 51 |
| TPSA: | 265.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD13749
Formula: C28H36O12
Smiles:
COC(=O)C12OCC34C(CC5C(C)C(=O)C(O)=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C(C)(C)O)C24| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 564.58 | Num_heavy_atoms: | 40 |
| TPSA: | 186.12 | NumAromaticRings: | 0 |
