Glycoside
GD137985
Name:
7-[(3,4-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}-5-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl)oxy]-5,6-dimethoxy-3-(4-methoxyphenyl)-4H-chromen-4-oneFormula:
C42H56O24Smiles:
COc1ccc(-c2coc3cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5O)C(O)C4O)c(OC)c(OC)c3c2=O)cc1Aglycone:
COc1ccc(-c2coc3cc(O)c(OC)c(OC)c3c2=O)cc1Sugarmoiety:
CC1OC(OCC2OC(OC3C(COC4OC(C)C(O)C(O)C4O)OC(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.64 |
| AlogP: | -3.81 | Num_rotatable_bonds: | 14 |
| MolWt: | 944.89 | Num_heavy_atoms: | 66 |
| TPSA: | 354.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD09485
Formula: C18H16O6
Smiles:
COc1ccc(-c2coc3cc(O)c(OC)c(OC)c3c2=O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.32 | Num_heavy_atoms: | 24 |
| TPSA: | 78.13 | NumAromaticRings: | 3 |
