Glycoside
GD148978
Name:
{5-[(acetyloxy)methyl]-5-({6-[(acetyloxy)methyl]-3,4,5-tris[(2-methylpropanoyl)oxy]oxan-2-yl}oxy)-3,4-bis[(2-methylpropanoyl)oxy]oxolan-2-yl}methyl 2-methylpropanoateFormula:
C40H62O19Smiles:
CC(=O)OCC1OC(OC2(COC(C)=O)OC(COC(=O)C(C)C)C(OC(=O)C(C)C)C2OC(=O)C(C)C)C(OC(=O)C(C)C)C(OC(=O)C(C)C)C1OC(=O)C(C)CAglycone:
CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.COC(=O)C(C)C.COC(C)=O.COC(C)=OSugarmoiety:
OCC1OC(O)(OC2OC(O)OC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 19 |
| MolWt: | 846.92 | Num_heavy_atoms: | 59 |
| TPSA: | 238.09 | 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 |
AD00350
Formula: C4H8O2
Smiles:
CC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD01210
Formula: C5H10O2
Smiles:
COC(=O)C(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
