Glycoside
GD024183
Name:
NoneFormula:
C20H19O9N2ClSmiles:
CC(=O)OC1COC(N2C(=O)C(=O)c3c(C)cc(Cl)nc32)C(OC(C)=O)C1OC(C)=OAglycone:
Cc1cc(Cl)nc2c1C(=O)C(=O)N2Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.47 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 454.82 | Num_heavy_atoms: | 31 |
| TPSA: | 138.4 | NumAromaticRings: | 1 |
Unique Aglycone
AD16167
Formula: C9H5O2N2Cl
Smiles:
Cc1cc(Cl)nc2c1C(=O)C(=O)N2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 196.59 | Num_heavy_atoms: | 13 |
| TPSA: | 59.06 | NumAromaticRings: | 1 |
