Glycoside
GD000776
Name:
NoneFormula:
C29H28O10N3ClSmiles:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)CNn1c(-c2ccccc2Cl)nc2ccccc2c1=OAglycone:
CNn1c(-c2ccccc2Cl)nc2ccccc2c1=OSugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 602.0 | Num_heavy_atoms: | 42 |
| TPSA: | 169.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD00821
Formula: C16H12ON3Cl
Smiles:
CNn1c(-c2ccccc2Cl)nc2ccccc2c1=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 285.73 | Num_heavy_atoms: | 20 |
| TPSA: | 46.92 | NumAromaticRings: | 3 |
