Glycoside
GD128327
Name:
4,5-bis(acetyloxy)-3-hydroxyoxan-2-yl 1-[5-(acetyloxy)-3-methylpent-3-en-1-yl]-1,4a,5-trimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene-2-carboxylateFormula:
C31H46O10Smiles:
CC(=O)OCC=C(C)CCC1(C)C(C(=O)OC2OCC(OC(C)=O)C(OC(C)=O)C2O)CCC2(C)C(C)=CCCC21Aglycone:
CC(=O)OCC=C(C)CCC1(C)C(C(=O)O)CCC2(C)C(C)=CCCC21Sugarmoiety:
CC(=O)OC1COC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.74 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 9 |
| MolWt: | 578.7 | Num_heavy_atoms: | 41 |
| TPSA: | 134.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD51981
Formula: C22H34O4
Smiles:
CC(=O)OCC=C(C)CCC1(C)C(C(=O)O)CCC2(C)C(C)=CCCC21| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 5.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 362.51 | Num_heavy_atoms: | 26 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
