Glycoside
GD082012
Name:
NoneFormula:
C14H22O6N3BrSmiles:
Cc1nn(CC(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1BrAglycone:
Cc1nn(CC(=O)NCCO)cc1BrSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 408.25 | Num_heavy_atoms: | 24 |
| TPSA: | 126.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD36824
Formula: C8H12O2N3Br
Smiles:
Cc1nn(CC(=O)NCCO)cc1Br| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 262.11 | Num_heavy_atoms: | 14 |
| TPSA: | 67.15 | NumAromaticRings: | 1 |
