Glycoside
GD090615
Name:
NoneFormula:
C15H19O6N4BrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cnc3c(Br)cnn3c2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cnc2c(Br)cnn2c1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 431.24 | Num_heavy_atoms: | 26 |
| TPSA: | 138.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD39420
Formula: C9H9O2N4Br
Smiles:
O=C(NCCO)c1cnc2c(Br)cnn2c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 285.1 | Num_heavy_atoms: | 16 |
| TPSA: | 79.52 | NumAromaticRings: | 2 |
