Glycoside
GD075852
Name:
NoneFormula:
C17H17O6N4ClSmiles:
Cc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2C[C@H](O)[C@H](O)[C@H](O)COAglycone:
Cc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2CSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 396.79 | Num_heavy_atoms: | 27 |
| TPSA: | 161.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD35129
Formula: C13H9O2N4Cl
Smiles:
Cc1cc2c(cc1Cl)nc1c(=O)[nH]c(=O)nc-1n2C| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 0 |
| MolWt: | 276.68 | Num_heavy_atoms: | 19 |
| TPSA: | 80.64 | NumAromaticRings: | 1 |
