Glycoside
GD005316
Name:
NoneFormula:
C19H22O9N2Smiles:
CC(=O)OC1COC(N2CCc3cc([N+](=O)[O-])ccc32)C(OC(C)=O)C1OC(C)=OAglycone:
O=[N+]([O-])c1ccc2c(c1)CCN2Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 422.39 | Num_heavy_atoms: | 30 |
| TPSA: | 134.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD04535
Formula: C8H8O2N2
Smiles:
O=[N+]([O-])c1ccc2c(c1)CCN2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 55.17 | NumAromaticRings: | 1 |
