Glycoside
GD034150
Name:
PYRANKACINFormula:
C22H44O9N6Smiles:
C[C@@H]1O[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CN)CC[C@H]3N)[C@@H](N)C[C@@H](NC(=O)[C@H](O)CCN)[C@H]2O)[C@H](O)[C@H](O)[C@H]1NAglycone:
NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)CCC2N)C(O)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1NOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 0.95 |
| AlogP: | -5.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 536.63 | Num_heavy_atoms: | 37 |
| TPSA: | 277.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD02431
Formula: C16H33O6N5
Smiles:
NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)CCC2N)C(O)C1O| HBA: | 11 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.94 |
| AlogP: | -4.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 391.47 | Num_heavy_atoms: | 27 |
| TPSA: | 212.33 | NumAromaticRings: | 0 |
