Glycoside
GD027990
Name:
CORDIFOLINEFormula:
C28H30O12N2Smiles:
C=CC1C(Cc2nc(C(=O)O)cc3c2[nH]c2ccc(O)cc23)C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
C=CC1C(O)OC=C(C(=O)OC)C1Cc1nc(C(=O)O)cc2c1[nH]c1ccc(O)cc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 586.55 | Num_heavy_atoms: | 42 |
| TPSA: | 221.12 | NumAromaticRings: | 3 |
Unique Aglycone
AD18331
Formula: C22H20O7N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1Cc1nc(C(=O)O)cc2c1[nH]c1ccc(O)cc12| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.23 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 424.41 | Num_heavy_atoms: | 31 |
| TPSA: | 141.97 | NumAromaticRings: | 3 |
