Glycoside
GD117647
Name:
ophiorine aFormula:
C26H30O9N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC2C(C(=O)O)C1CC1=c3[nH]c4ccccc4c3=CCN12Aglycone:
C=CC1C(O)OC2C(C(=O)O)C1CC1=c3[nH]c4ccccc4c3=CCN12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 5 |
| MolWt: | 514.53 | Num_heavy_atoms: | 37 |
| TPSA: | 164.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD46938
Formula: C20H20O4N2
Smiles:
C=CC1C(O)OC2C(C(=O)O)C1CC1=c3[nH]c4ccccc4c3=CCN12| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 352.39 | Num_heavy_atoms: | 26 |
| TPSA: | 85.79 | NumAromaticRings: | 2 |
