Glycoside
GD148117
Name:
(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-(4-{[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]carbonyl}-2,6-dihydroxyphenoxy)-3,4,5-trihydroxybenzoateFormula:
C40H42O26Smiles:
O=C(OCc1cc(O)c(OC2OC(CO)C(O)C(O)C2O)c(O)c1)c1cc(O)c(Oc2c(C(=O)OCc3cc(O)c(OC4OC(CO)C(O)C(O)C4O)c(O)c3)cc(O)c(O)c2O)c(O)c1Aglycone:
O=C(OCc1cc(O)c(O)c(O)c1)c1cc(O)c(Oc2c(C(=O)OCc3cc(O)c(O)c(O)c3)cc(O)c(O)c2O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 6 |
| HBD: | 17 | FractionCSP3: | 0.35 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 14 |
| MolWt: | 938.75 | Num_heavy_atoms: | 66 |
| TPSA: | 442.66 | NumAromaticRings: | 4 |
Unique Aglycone
AD59285
Formula: C28H22O16
Smiles:
O=C(OCc1cc(O)c(O)c(O)c1)c1cc(O)c(Oc2c(C(=O)OCc3cc(O)c(O)c(O)c3)cc(O)c(O)c2O)c(O)c1| HBA: | 16 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.07 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 614.47 | Num_heavy_atoms: | 44 |
| TPSA: | 284.36 | NumAromaticRings: | 4 |
