Glycoside
GD021498
Name:
NoneFormula:
C17H17O4N3Cl2Smiles:
OC[C@@H]1O[C@H](n2c(NC3CC3)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@H]1OAglycone:
Clc1cc2c(cc1Cl)N=C(NC1CC1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.22 | Num_heavy_atoms: | 24 |
| TPSA: | 99.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD14670
Formula: C12H8N3Cl2
Smiles:
Clc1cc2c(cc1Cl)N=C(NC1CC1)[N]2| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 241.1 | Num_heavy_atoms: | 15 |
| TPSA: | 38.49 | NumAromaticRings: | 1 |
