Glycoside
GD033480
Name:
NoneFormula:
C28H28O7N3ClSmiles:
CCOc1ccc(Cc2cc([C@@H]3O[C@H](C=NNc4ccc([N+](=O)[O-])cc4)[C@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1Aglycone:
C=NNc1ccc([N+](=O)[O-])cc1.CCOc1ccc(Cc2ccccc2Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 541.99 | Num_heavy_atoms: | 38 |
| TPSA: | 146.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD00288
Formula: C16H15OCl
Smiles:
CCOc1ccc(Cc2ccccc2Cl)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 246.74 | Num_heavy_atoms: | 17 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
AD21369
Formula: C7H7O2N3
Smiles:
C=NNc1ccc([N+](=O)[O-])cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 165.15 | Num_heavy_atoms: | 12 |
| TPSA: | 67.53 | NumAromaticRings: | 1 |
