Glycoside
GD030298
Name:
3Alpha-5Alpha-Tetrahydrodeoxycordifoline LactamFormula:
C27H30O10N2Smiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)N3[C@H](C(=O)O)Cc4c([nH]c5ccccc45)[C@H]3C[C@H]21Aglycone:
C=CC1C(O)OC=C2C(=O)N3C(C(=O)O)Cc4c([nH]c5ccccc45)C3CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 542.54 | Num_heavy_atoms: | 39 |
| TPSA: | 182.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD19607
Formula: C21H20O5N2
Smiles:
C=CC1C(O)OC=C2C(=O)N3C(C(=O)O)Cc4c([nH]c5ccccc45)C3CC21| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 380.4 | Num_heavy_atoms: | 28 |
| TPSA: | 102.86 | NumAromaticRings: | 2 |
