Glycoside
GD158217
Name:
3-[(3-{[3,4-dihydroxy-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-chromen-4-oneFormula:
C33H40O21Smiles:
COc1cc(O)c2c(=O)c(OC3OC(CO)C(O)C(O)C3OC3OCC(O)(COC4OC(CO)C(O)C(O)C4O)C3O)c(-c3ccc(O)c(O)c3)oc2c1Aglycone:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1Sugarmoiety:
OCC1OC(OCC2(O)COC(OC3C(O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.55 |
| AlogP: | -3.95 | Num_rotatable_bonds: | 11 |
| MolWt: | 772.66 | Num_heavy_atoms: | 54 |
| TPSA: | 337.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD01092
Formula: C16H12O7
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
