Glycoside
GD005039
Name:
NoneFormula:
C21H20O6N3ClSmiles:
O=c1c2ccccc2nc(-c2ccccc2Cl)n1NC1OC(CO)C(O)C(O)C1OAglycone:
Nn1c(-c2ccccc2Cl)nc2ccccc2c1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 433.85 | Num_heavy_atoms: | 30 |
| TPSA: | 137.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD04317
Formula: C15H10ON3Cl
Smiles:
Nn1c(-c2ccccc2Cl)nc2ccccc2c1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 271.71 | Num_heavy_atoms: | 19 |
| TPSA: | 60.91 | NumAromaticRings: | 3 |
