Glycoside
GD112117
Name:
NoneFormula:
C27H24O9N2Smiles:
Cc1ccc(C(=O)O[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1Aglycone:
Cc1ccc(C=O)cc1.Cc1ccc(C=O)cc1.Cc1ccc([N+](=O)[O-])cc1NSugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 520.49 | Num_heavy_atoms: | 38 |
| TPSA: | 162.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD01408
Formula: C8H8O
Smiles:
Cc1ccc(C=O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 120.15 | Num_heavy_atoms: | 9 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
AD02067
Formula: C7H8O2N2
Smiles:
Cc1ccc([N+](=O)[O-])cc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 69.16 | NumAromaticRings: | 1 |
