Glycoside
GD102423
Name:
NoneFormula:
C17H13O6N5Cl2SSmiles:
O=C(Nc1ncnc2c1[nH]c(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1cc(Cl)c(Cl)s1Aglycone:
O=C(Nc1ncnc2[nH]c(=O)[nH]c12)c1cc(Cl)c(Cl)s1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 462.27 | Num_heavy_atoms: | 29 |
| TPSA: | 162.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD43351
Formula: C12H5O2N5Cl2S
Smiles:
O=C(Nc1ncnc2[nH]c(=O)[nH]c12)c1cc(Cl)c(Cl)s1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 330.16 | Num_heavy_atoms: | 20 |
| TPSA: | 103.53 | NumAromaticRings: | 3 |
