Glycoside
GD015198
Name:
ALLOSAMIDINFormula:
C25H42O14N4Smiles:
CC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H]4N=C(N(C)C)O[C@H]4[C@H]3CO)[C@@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CN(C)C1=NC2C(O)C(O)C(CO)C2O1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.88 |
| AlogP: | -6.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 622.63 | Num_heavy_atoms: | 43 |
| TPSA: | 261.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD01895
Formula: C9H16O4N2
Smiles:
CN(C)C1=NC2C(O)C(O)C(CO)C2O1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | -1.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.24 | Num_heavy_atoms: | 15 |
| TPSA: | 85.52 | NumAromaticRings: | 0 |
