Glycoside
GD078562
Name:
NoneFormula:
C15H18O5N3ClSSmiles:
CCc1cc2c(N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)nc(Cl)nc2s1Aglycone:
CCc1cc2c(N)nc(Cl)nc2s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 375.83 | Num_heavy_atoms: | 24 |
| TPSA: | 127.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD36093
Formula: C9H8N3ClS
Smiles:
CCc1cc2c(N)nc(Cl)nc2s1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 213.69 | Num_heavy_atoms: | 13 |
| TPSA: | 51.8 | NumAromaticRings: | 2 |
