Glycoside
GD139262
Name:
[6-({4-ethenyl-8-oxo-3H,4H,6H,8H-pyrano[3,4-c]pyran-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetateFormula:
C18H22O10Smiles:
C=CC1C2=CCOC(=O)C2=COC1OC1OC(COC(C)=O)C(O)C(O)C1OAglycone:
C=CC1C2=CCOC(=O)C2=COC1O.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 398.36 | Num_heavy_atoms: | 28 |
| TPSA: | 140.98 | 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 |
AD00479
Formula: C10H10O4
Smiles:
C=CC1C2=CCOC(=O)C2=COC1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
