Glycoside
GD010541
Name:
NoneFormula:
C24H21O5N2ClS2Smiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3nnc(-c4cc5ccccc5s4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1nnc(-c2cc3ccccc3s2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 505.02 | Num_heavy_atoms: | 33 |
| TPSA: | 115.93 | NumAromaticRings: | 4 |
Unique Aglycone
AD08128
Formula: C18H11N2ClS2
Smiles:
Clc1ccccc1Cc1nnc(-c2cc3ccccc3s2)s1| HBA: | 2 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 5.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 342.88 | Num_heavy_atoms: | 22 |
| TPSA: | 25.78 | NumAromaticRings: | 4 |
