Glycoside
GD036046
Name:
NoneFormula:
C20H20O6N3ClSSmiles:
Cc1cc(-c2nnc(Cc3cc([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc3Cl)s2)no1Aglycone:
Cc1cc(-c2nnc(Cc3ccccc3Cl)s2)no1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 453.9 | Num_heavy_atoms: | 30 |
| TPSA: | 141.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD22769
Formula: C14H10ON3ClS
Smiles:
Cc1cc(-c2nnc(Cc3ccccc3Cl)s2)no1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 3.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 291.76 | Num_heavy_atoms: | 19 |
| TPSA: | 51.81 | NumAromaticRings: | 3 |
