Glycoside
GD134401
Name:
16-O-Demethyl-19-Deoxydideacetyl-3-EpifusicoccinFormula:
C31H50O9Smiles:
C=CC(C)(C)OCC1OC(OC2C3=C(C(C)C)CC(O)C3(C)C=C3C(CO)CCC3C(C)C2O)C(O)C(O)C1OAglycone:
C=CC(C)(C)OC.CC(C)C1=C2C(O)C(O)C(C)C3CCC(CO)C3=CC2(C)C(O)C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 566.73 | Num_heavy_atoms: | 40 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD23211
Formula: C6H12O
Smiles:
C=CC(C)(C)OC| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 100.16 | Num_heavy_atoms: | 7 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
AD49568
Formula: C20H32O4
Smiles:
CC(C)C1=C2C(O)C(O)C(C)C3CCC(CO)C3=CC2(C)C(O)C1| HBA: | 4 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 336.47 | Num_heavy_atoms: | 24 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
