Glycoside
GD129856
Name:
3-(3-{[6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4,5-dimethoxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-oneFormula:
C30H36O16Smiles:
COc1cc(O)c2c(=O)c(-c3cc(OC)c(OC)c(OC4OC(COCC5OC(CO)C(O)C5O)C(O)C(O)C4O)c3)coc2c1Aglycone:
COc1cc(O)c2c(=O)c(-c3cc(O)c(OC)c(OC)c3)coc2c1Sugarmoiety:
CO.OCC1OC(COCC2OOC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 11 |
| MolWt: | 652.6 | Num_heavy_atoms: | 46 |
| TPSA: | 236.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD49259
Formula: C18H16O7
Smiles:
COc1cc(O)c2c(=O)c(-c3cc(O)c(OC)c(OC)c3)coc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.32 | Num_heavy_atoms: | 25 |
| TPSA: | 98.36 | NumAromaticRings: | 3 |
