Glycoside
GD000722
Name:
NoneFormula:
C21H22O7N3ClSmiles:
COc1ccn2c(=O)n(Cc3cc([C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)ccc3Cl)nc2c1Aglycone:
COc1ccn2c(=O)n(Cc3ccccc3Cl)nc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 451.86 | Num_heavy_atoms: | 31 |
| TPSA: | 138.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD00771
Formula: C15H12O2N3Cl
Smiles:
COc1ccn2c(=O)n(Cc3ccccc3Cl)nc2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.72 | Num_heavy_atoms: | 20 |
| TPSA: | 48.53 | NumAromaticRings: | 3 |
