Glycoside
GD090304
Name:
NoneFormula:
C15H21O5N6BrSmiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n(C(=O)C(C)(C)Br)c(=N)nc21Aglycone:
CC(C)(Br)C(=O)n1c(N)c2c(nc1=N)[N]C=N2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 445.27 | Num_heavy_atoms: | 27 |
| TPSA: | 161.5 | NumAromaticRings: | 2 |
Unique Aglycone
AD39311
Formula: C9H10ON6Br
Smiles:
CC(C)(Br)C(=O)n1c(N)c2c(nc1=N)[N]C=N2| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 298.12 | Num_heavy_atoms: | 17 |
| TPSA: | 111.22 | NumAromaticRings: | 1 |
