Glycoside
GD117166
Name:
6-{4-[4-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenyl}-5-(hydroxymethyl)oxane-2,3,4-triolFormula:
C34H46O17Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(C5OC(O)C(O)C(O)C5CO)c(OC)c4)OCC23)cc(OC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(OC)cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)c1Sugarmoiety:
OCC1C(O)OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 11 |
| MolWt: | 726.73 | Num_heavy_atoms: | 51 |
| TPSA: | 244.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD46671
Formula: C22H26O7
Smiles:
COc1cc(OC)cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)c1| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.44 | Num_heavy_atoms: | 29 |
| TPSA: | 75.61 | NumAromaticRings: | 2 |
