Glycoside
GD157959
Name:
[5-(acetyloxy)-3,4-dihydroxy-6-[(5-hydroxy-7-methyl-3-methylidene-8-oxooct-6-en-1-yl)oxy]oxan-2-yl]methyl acetateFormula:
C20H30O10Smiles:
C=C(CCOC1OC(COC(C)=O)C(O)C(O)C1OC(C)=O)CC(O)C=C(C)C=OAglycone:
C=C(CCO)CC(O)C=C(C)C=O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 11 |
| MolWt: | 430.45 | Num_heavy_atoms: | 30 |
| TPSA: | 148.82 | 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 |
AD48021
Formula: C10H16O3
Smiles:
C=C(CCO)CC(O)C=C(C)C=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 184.23 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
