Glycoside
GD091629
Name:
NoneFormula:
C18H19O7N4ClSmiles:
COC(=O)c1c(Cl)cccc1Nc1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
COC(=O)c1c(Cl)cccc1NC1=C(C(N)=O)N=C[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 426.81 | Num_heavy_atoms: | 29 |
| TPSA: | 169.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD39970
Formula: C13H10O3N4Cl
Smiles:
COC(=O)c1c(Cl)cccc1NC1=C(C(N)=O)N=C[N]1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 293.69 | Num_heavy_atoms: | 20 |
| TPSA: | 107.88 | NumAromaticRings: | 1 |
