Glycoside
GD036173
Name:
NoneFormula:
C24H23O5N2ClSSmiles:
OC[C@@H]1OC(c2ccc(Cl)c(Cc3nnc(C=Cc4ccccc4)s3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1nnc(C=Cc2ccccc2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 474.97 | Num_heavy_atoms: | 32 |
| TPSA: | 115.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD22840
Formula: C18H13N2ClS
Smiles:
Clc1ccccc1Cc1nnc(C=Cc2ccccc2)s1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 312.82 | Num_heavy_atoms: | 21 |
| TPSA: | 25.78 | NumAromaticRings: | 3 |
