Glycoside
GD017483
Name:
NoneFormula:
C20H18O4N4Cl2Smiles:
OC[C@@H]1OC(n2c(NC3CC3)nc3cc4cc(Cl)c(Cl)cc4nc32)[C@H](O)[C@H]1OAglycone:
Clc1cc2cc3c(nc2cc1Cl)[N]C(NC1CC1)=N3Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 425.27 | Num_heavy_atoms: | 28 |
| TPSA: | 112.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD12468
Formula: C15H9N4Cl2
Smiles:
Clc1cc2cc3c(nc2cc1Cl)[N]C(NC1CC1)=N3| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 3.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 292.15 | Num_heavy_atoms: | 19 |
| TPSA: | 51.38 | NumAromaticRings: | 2 |
