Glycoside
GD012602
Name:
NoneFormula:
C21H21O7N2ClSSmiles:
COc1cc(Cl)c(Cc2nnc(-c3ccco3)s2)cc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1ccc(Cc2nnc(-c3ccco3)s2)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 468.92 | Num_heavy_atoms: | 31 |
| TPSA: | 138.3 | NumAromaticRings: | 3 |
Unique Aglycone
AD09488
Formula: C15H11O2N2ClS
Smiles:
COc1ccc(Cc2nnc(-c3ccco3)s2)c(Cl)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 4.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 306.77 | Num_heavy_atoms: | 20 |
| TPSA: | 48.15 | NumAromaticRings: | 3 |
