Glycoside
GD139008
Name:
3-(acetyloxy)-2-[(acetyloxy)methyl]-5-(butanoyloxy)-6-(2,3,4-trihydroxybutoxy)oxan-4-yl 14-hydroxytetradecanoateFormula:
C32H56O14Smiles:
CCCC(=O)OC1C(OCC(O)C(O)CO)OC(COC(C)=O)C(OC(C)=O)C1OC(=O)CCCCCCCCCCCCCOAglycone:
CCCC(=O)O.COC(C)=O.O=C(O)CCCCCCCCCCCCCOSugarmoiety:
CC(=O)OC1C(O)OC(OCC(O)C(O)CO)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 25 |
| MolWt: | 664.79 | Num_heavy_atoms: | 46 |
| TPSA: | 204.58 | 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 |
AD00922
Formula: C4H8O2
Smiles:
CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD55727
Formula: C14H28O3
Smiles:
O=C(O)CCCCCCCCCCCCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 13 |
| MolWt: | 244.37 | Num_heavy_atoms: | 17 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
