Glycoside
GD032985
Name:
NoneFormula:
C24H23O7N3Cl2Smiles:
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OC[C@@H]1O[C@H](OC)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OCSugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 512.35 | Num_heavy_atoms: | 34 |
| TPSA: | 135.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD21088
Formula: C18H13O2N3Cl2
Smiles:
COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cc1OC| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 4.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 350.21 | Num_heavy_atoms: | 23 |
| TPSA: | 56.27 | NumAromaticRings: | 3 |
