Glycoside
GD005463
Name:
NoneFormula:
C24H22O5N2Cl2SSmiles:
OC[C@@H]1OC(c2ccc(Cl)c(Cc3nnc(Cc4ccc(Cl)cc4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccc(Cc2nnc(Cc3ccccc3Cl)s2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 497.4 | Num_heavy_atoms: | 32 |
| TPSA: | 115.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD04642
Formula: C18H12N2Cl2S
Smiles:
Clc1ccc(Cc2nnc(Cc3ccccc3Cl)s2)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 5.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 335.26 | Num_heavy_atoms: | 21 |
| TPSA: | 25.78 | NumAromaticRings: | 3 |
