Glycoside
GD134822
Name:
3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl 5,6,8a-trimethyl-5-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylateFormula:
C34H46O13Smiles:
CC(=O)OCC1OC(OC(=O)C2=CCCC3C2(C)CCC(C)C3(C)CCC2=CC(=O)OC2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC1CCC2(C)C(C(=O)O)=CCCC2C1(C)CCC1=CC(=O)OC1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 10 |
| MolWt: | 662.73 | Num_heavy_atoms: | 47 |
| TPSA: | 167.03 | 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 |
AD54532
Formula: C20H28O4
Smiles:
CC1CCC2(C)C(C(=O)O)=CCCC2C1(C)CCC1=CC(=O)OC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.44 | Num_heavy_atoms: | 24 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
