Glycoside
GD082525
Name:
NoneFormula:
C18H19O6N4ClSmiles:
CCc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1ClAglycone:
CCc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1ClSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 410.81 | Num_heavy_atoms: | 28 |
| TPSA: | 161.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD37073
Formula: C14H11O2N4Cl
Smiles:
CCc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1Cl| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.71 | Num_heavy_atoms: | 20 |
| TPSA: | 80.64 | NumAromaticRings: | 1 |
