Glycoside
GD000963
Name:
DESOXYCORDIFOLINEFormula:
C28H30O11N2Smiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1Cc1nc(C(=O)O)cc2c1[nH]c1ccccc12Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1Cc1nc(C(=O)O)cc2c1[nH]c1ccccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 8 |
| MolWt: | 570.55 | Num_heavy_atoms: | 41 |
| TPSA: | 200.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD01004
Formula: C22H20O6N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1Cc1nc(C(=O)O)cc2c1[nH]c1ccccc12| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.23 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 408.41 | Num_heavy_atoms: | 30 |
| TPSA: | 121.74 | NumAromaticRings: | 3 |
