Glycoside
GD081010
Name:
NoneFormula:
C18H25O6N5Smiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(-c3ncccc3C)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
Cc1cccnc1-c1cn(CCO)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 407.43 | Num_heavy_atoms: | 29 |
| TPSA: | 151.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD36546
Formula: C10H12ON4
Smiles:
Cc1cccnc1-c1cn(CCO)nn1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 204.23 | Num_heavy_atoms: | 15 |
| TPSA: | 63.83 | NumAromaticRings: | 2 |
