Glycoside
GD037002
Name:
NoneFormula:
C22H21O5N2ClSmiles:
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ccc4nccnc4c3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Clc1ccccc1Cc1ccc2nccnc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 4 |
| MolWt: | 416.86 | Num_heavy_atoms: | 29 |
| TPSA: | 115.93 | NumAromaticRings: | 3 |
Unique Aglycone
AD23337
Formula: C16H11N2Cl
Smiles:
Clc1ccccc1Cc1ccc2nccnc2c1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 254.72 | Num_heavy_atoms: | 18 |
| TPSA: | 25.78 | NumAromaticRings: | 3 |
