Glycoside
GD116042
Name:
5-(acetyloxy)-3,4-dihydroxy-7-(6-oxo-3,6-dihydro-2H-pyran-2-yl)hept-6-en-2-yl acetateFormula:
C16H22O8Smiles:
CC(=O)OC(C)C(O)C(O)C(C=CC1CC=CC(=O)O1)OC(C)=OAglycone:
C=CC1CC=CC(=O)O1Sugarmoiety:
CC(=O)OC(C)C(O)C(O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 342.34 | Num_heavy_atoms: | 24 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD01812
Formula: C7H8O2
Smiles:
C=CC1CC=CC(=O)O1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
