Glycoside
GD102275
Name:
NoneFormula:
C18H16O6N5ClSSmiles:
O=C(Nc1[nH]c(=S)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)Oc1ccc(Cl)cc1Aglycone:
O=C(Nc1[nH]c(=S)nc2c1N=C[N]2)Oc1ccc(Cl)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 453.86 | Num_heavy_atoms: | 30 |
| TPSA: | 154.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD43286
Formula: C13H7O2N5ClS
Smiles:
O=C(Nc1[nH]c(=S)nc2c1N=C[N]2)Oc1ccc(Cl)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 320.74 | Num_heavy_atoms: | 21 |
| TPSA: | 93.47 | NumAromaticRings: | 2 |
