Glycoside
GD138858
Name:
Flaccidin BFormula:
C41H64O12Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(=O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(=O)C6O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 748.95 | Num_heavy_atoms: | 53 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD56023
Formula: C35H54O7
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(=O)C6O)C(C)(C)C5CCC43C)C2C1| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 5.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 586.81 | Num_heavy_atoms: | 42 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
