Glycoside
GD081222
Name:
NoneFormula:
C14H21O6N4BrSmiles:
CCN(CC)c1nc(Br)cnc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
CCN(CC)c1nc(Br)cnc1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -1.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 421.25 | Num_heavy_atoms: | 25 |
| TPSA: | 156.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD36621
Formula: C8H13N4Br
Smiles:
CCN(CC)c1nc(Br)cnc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 245.12 | Num_heavy_atoms: | 13 |
| TPSA: | 55.04 | NumAromaticRings: | 1 |
