Glycoside
GD103300
Name:
NoneFormula:
C23H29O6N5Smiles:
Cc1c(C)c(C)c(CC(=O)Nc2ncnc3c2[nH]c(=O)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(C)c1CAglycone:
Cc1c(C)c(C)c(CC(=O)Nc2ncnc3[nH]c(=O)[nH]c23)c(C)c1CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 471.51 | Num_heavy_atoms: | 34 |
| TPSA: | 162.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD43719
Formula: C18H21O2N5
Smiles:
Cc1c(C)c(C)c(CC(=O)Nc2ncnc3[nH]c(=O)[nH]c23)c(C)c1C| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 339.4 | Num_heavy_atoms: | 25 |
| TPSA: | 103.53 | NumAromaticRings: | 3 |
