Glycoside
GD090302
Name:
NoneFormula:
C14H18O6N5BrSmiles:
CC(C)(Br)C(=O)Nc1ncnc2c1[nH]c(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CC(C)(Br)C(=O)Nc1ncnc2[nH]c(=O)[nH]c12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 432.23 | Num_heavy_atoms: | 26 |
| TPSA: | 162.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD39309
Formula: C9H10O2N5Br
Smiles:
CC(C)(Br)C(=O)Nc1ncnc2[nH]c(=O)[nH]c12| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.12 | Num_heavy_atoms: | 17 |
| TPSA: | 103.53 | NumAromaticRings: | 2 |
