Glycoside
GD084144
Name:
NoneFormula:
C18H25O6N5Smiles:
CC1(C)C(C(=O)Nc2ncnc3c2[nH]c(=O)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1(C)CAglycone:
CC1(C)C(C(=O)Nc2ncnc3[nH]c(=O)[nH]c23)C1(C)CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 407.43 | Num_heavy_atoms: | 29 |
| TPSA: | 162.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD37552
Formula: C13H17O2N5
Smiles:
CC1(C)C(C(=O)Nc2ncnc3[nH]c(=O)[nH]c23)C1(C)C| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 275.31 | Num_heavy_atoms: | 20 |
| TPSA: | 103.53 | NumAromaticRings: | 2 |
