Glycoside
GD126915
Name:
cordifolide bFormula:
C26H32O13Smiles:
CC12CC(C3=CC(=O)OC3O)OC(=O)C1CCC1(C)C2C2C=CC1(OC1OC(CO)C(O)C(O)C1O)C(=O)O2Aglycone:
CC12CC(C3=CC(=O)OC3O)OC(=O)C1CCC1(C)C2C2C=CC1(O)C(=O)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 552.53 | Num_heavy_atoms: | 39 |
| TPSA: | 198.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD51373
Formula: C20H22O8
Smiles:
CC12CC(C3=CC(=O)OC3O)OC(=O)C1CCC1(C)C2C2C=CC1(O)C(=O)O2| HBA: | 8 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 1 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
