Glycoside
GD062826
Name:
NoneFormula:
C13H20O8N4Smiles:
CC(=O)N(c1c(N)[nH]c(=O)n(C)c1=O)[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
CC(=O)Nc1c(N)[nH]c(=O)n(C)c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -4.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 360.32 | Num_heavy_atoms: | 25 |
| TPSA: | 191.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD30359
Formula: C7H10O3N4
Smiles:
CC(=O)Nc1c(N)[nH]c(=O)n(C)c1=O| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -1.39 | Num_rotatable_bonds: | 1 |
| MolWt: | 198.18 | Num_heavy_atoms: | 14 |
| TPSA: | 109.98 | NumAromaticRings: | 1 |
