Glycoside
GD031715
Name:
YADANZIOLIDE UFormula:
C26H38O13Smiles:
CC1=CC(=O)[C@H](O)[C@]2(C)[C@H]1C[C@@H]1OC(=O)[C@H](O)[C@@H]3[C@H](CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]2[C@@]13CAglycone:
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(O)C3C(CO)C(O)C(O)C2C13CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.85 |
| AlogP: | -3.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 558.58 | Num_heavy_atoms: | 39 |
| TPSA: | 223.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD20414
Formula: C20H28O8
Smiles:
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(O)C3C(CO)C(O)C(O)C2C13C| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 396.44 | Num_heavy_atoms: | 28 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
