Glycoside
GD150791
Name:
5-ethenyl-3-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]peroxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-1-oneFormula:
C17H24O11Smiles:
C=CC1C(OOC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC(OC)CC21Aglycone:
C=CC1C(OO)OC=C2C(=O)OC(OC)CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 404.37 | Num_heavy_atoms: | 28 |
| TPSA: | 153.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD58172
Formula: C11H14O6
Smiles:
C=CC1C(OO)OC=C2C(=O)OC(OC)CC21| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 74.22 | NumAromaticRings: | 0 |
