Glycoside
GD102535
Name:
NoneFormula:
C16H16O6N5SBrSmiles:
Cc1sc(Br)cc1C(=O)Nc1ncnc2c1[nH]c(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
Cc1sc(Br)cc1C(=O)Nc1ncnc2[nH]c(=O)[nH]c12Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 486.3 | Num_heavy_atoms: | 29 |
| TPSA: | 162.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD43402
Formula: C11H8O2N5SBr
Smiles:
Cc1sc(Br)cc1C(=O)Nc1ncnc2[nH]c(=O)[nH]c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 354.19 | Num_heavy_atoms: | 20 |
| TPSA: | 103.53 | NumAromaticRings: | 3 |
