Glycoside
GD107545
Name:
NoneFormula:
C25H29O9N3Smiles:
CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2C(=O)/C=C/c2ccc(N(C)C)cc2)O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CN(C)c1ccc(C=CC(=O)c2cc([N+](=O)[O-])ccc2O)cc1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 9 |
| MolWt: | 515.52 | Num_heavy_atoms: | 37 |
| TPSA: | 171.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD44321
Formula: C17H16O4N2
Smiles:
CN(C)c1ccc(C=CC(=O)c2cc([N+](=O)[O-])ccc2O)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 312.32 | Num_heavy_atoms: | 23 |
| TPSA: | 83.68 | NumAromaticRings: | 2 |
