Glycoside
GD035388
Name:
NoneFormula:
C21H18O6N2Cl2SSmiles:
OC[C@@H]1O[C@H](c2cc(Cc3nnc(-c4ccco4)s3)c(Cl)cc2Cl)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccc(Cc2nnc(-c3ccco3)s2)c(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 473.33 | Num_heavy_atoms: | 30 |
| TPSA: | 129.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD22391
Formula: C15H8ON2Cl2S
Smiles:
Clc1ccc(Cc2nnc(-c3ccco3)s2)c(Cl)c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 311.19 | Num_heavy_atoms: | 19 |
| TPSA: | 38.92 | NumAromaticRings: | 3 |
