Glycoside
GD096371
Name:
NoneFormula:
C22H27O7N4Smiles:
C[C@](O)(CNc1[nH+]cnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)OCc1ccccc1Aglycone:
CC(O)(CNc1[nH+]cnc2c1C=C[N]2)C(=O)OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 8 |
| MolWt: | 459.48 | Num_heavy_atoms: | 33 |
| TPSA: | 160.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD40988
Formula: C17H18O3N4
Smiles:
CC(O)(CNc1[nH+]cnc2c1C=C[N]2)C(=O)OCc1ccccc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 326.36 | Num_heavy_atoms: | 24 |
| TPSA: | 99.69 | NumAromaticRings: | 2 |
