Glycoside
GD083938
Name:
NoneFormula:
C19H24O7N4Smiles:
CC(=O)OCc1cccc(C)c1Nc1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
CC(=O)OCc1cccc(C)c1NC1=C(C(N)=O)N=C[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 420.42 | Num_heavy_atoms: | 30 |
| TPSA: | 169.16 | NumAromaticRings: | 2 |
Unique Aglycone
AD37437
Formula: C14H15O3N4
Smiles:
CC(=O)OCc1cccc(C)c1NC1=C(C(N)=O)N=C[N]1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 287.3 | Num_heavy_atoms: | 21 |
| TPSA: | 107.88 | NumAromaticRings: | 1 |
