Glycoside
GD022507
Name:
VALIDAMYCIN AFormula:
C20H35O13NSmiles:
OCC1=C[C@H](N[C@@H]2C[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
OCC1=CC(NC2CC(CO)C(O)C(O)C2O)C(O)C(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.9 |
| AlogP: | -6.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 497.49 | Num_heavy_atoms: | 34 |
| TPSA: | 253.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD15246
Formula: C14H25O8N
Smiles:
OCC1=CC(NC2CC(CO)C(O)C(O)C2O)C(O)C(O)C1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.86 |
| AlogP: | -4.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 335.35 | Num_heavy_atoms: | 23 |
| TPSA: | 173.87 | NumAromaticRings: | 0 |
