Glycoside
GD137540
Name:
3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl 5-[5-(acetyloxy)-3-[(acetyloxy)methyl]pent-3-en-1-yl]-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylateFormula:
C38H54O15Smiles:
CC(=O)OCC=C(CCC1(C)C(C)CCC2(C)C(C(=O)OC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)=CCCC21)COC(C)=OAglycone:
CC(=O)OCC=C(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CCCC21)COC(C)=O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | 4.22 | Num_rotatable_bonds: | 14 |
| MolWt: | 750.84 | Num_heavy_atoms: | 53 |
| TPSA: | 193.33 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD55560
Formula: C24H36O6
Smiles:
CC(=O)OCC=C(CCC1(C)C(C)CCC2(C)C(C(=O)O)=CCCC21)COC(C)=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 8 |
| MolWt: | 420.55 | Num_heavy_atoms: | 30 |
| TPSA: | 89.9 | NumAromaticRings: | 0 |
