Glycoside
GD081256
Name:
NoneFormula:
C14H19O6N4BrSmiles:
Nc1ncc(Br)nc1N(CC1CC1)C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
Nc1ncc(Br)nc1NCC1CC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 8 |
| MolWt: | 419.23 | Num_heavy_atoms: | 25 |
| TPSA: | 170.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD36629
Formula: C8H11N4Br
Smiles:
Nc1ncc(Br)nc1NCC1CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 3 |
| MolWt: | 243.11 | Num_heavy_atoms: | 13 |
| TPSA: | 63.83 | NumAromaticRings: | 1 |
