Glycoside
GD084330
Name:
NoneFormula:
C13H19O6N2SBrSmiles:
Cc1nc(C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)sc1BrAglycone:
Cc1nc(C(=O)NCCO)sc1BrSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 411.27 | Num_heavy_atoms: | 23 |
| TPSA: | 121.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD37645
Formula: C7H9O2N2SBr
Smiles:
Cc1nc(C(=O)NCCO)sc1Br| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 265.13 | Num_heavy_atoms: | 13 |
| TPSA: | 62.22 | NumAromaticRings: | 1 |
