Glycoside
GD102440
Name:
NoneFormula:
C18H20O4N7BrSmiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(Br)nc4C)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.Cc1nc(Br)ccc1Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.39 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 478.31 | Num_heavy_atoms: | 30 |
| TPSA: | 147.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD43360
Formula: C11H8N6Br
Smiles:
Cc1nc(Br)ccc1Nc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 304.13 | Num_heavy_atoms: | 18 |
| TPSA: | 77.16 | NumAromaticRings: | 2 |
