Glycoside
GD129996
Name:
2-methyl-3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-pyran-4-oneFormula:
C17H24O12Smiles:
Cc1occc(=O)c1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1OAglycone:
Cc1occc(=O)c1OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -3.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.37 | Num_heavy_atoms: | 29 |
| TPSA: | 188.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD12565
Formula: C6H6O3
Smiles:
Cc1occc(=O)c1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 50.44 | NumAromaticRings: | 1 |
