Glycoside
GD021450
Name:
NoneFormula:
C16H15O3N3Cl2Smiles:
O[C@@H]1C(n2c(NC3CC3)nc3cc(Cl)c(Cl)cc32)OC[C@H]1OAglycone:
Clc1cc2c(cc1Cl)N=C(NC1CC1)[N]2Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 344.2 | Num_heavy_atoms: | 22 |
| TPSA: | 79.54 | 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 |
