Glycoside
GD089352
Name:
NoneFormula:
C15H23O6N2SBrSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@H](N)Cc2ccc(Br)s2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
NC(Cc1ccc(Br)s1)C(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 439.33 | Num_heavy_atoms: | 25 |
| TPSA: | 134.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD38976
Formula: C9H13O2N2SBr
Smiles:
NC(Cc1ccc(Br)s1)C(=O)NCCO| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 293.19 | Num_heavy_atoms: | 15 |
| TPSA: | 75.35 | NumAromaticRings: | 1 |
