Glycoside
GD149274
Name:
[5-(acetyloxy)-3,4-dihydroxy-6-[(3-methylbutanoyl)oxy]oxan-2-yl]methyl 2-methylbutanoateFormula:
C18H30O9Smiles:
CCC(C)C(=O)OCC1OC(OC(=O)CC(C)C)C(OC(C)=O)C(O)C1OAglycone:
CC(C)CC(=O)O.CCC(C)C(=O)OCSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 390.43 | Num_heavy_atoms: | 27 |
| TPSA: | 128.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD00281
Formula: C5H10O2
Smiles:
CC(C)CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD17547
Formula: C6H12O2
Smiles:
CCC(C)C(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
