Glycoside
GD130573
Name:
(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-3-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoateFormula:
C34H44O18Smiles:
COc1cc(C=CC(=O)OC(C)(C)C(OC2OC(CO)C(O)C(O)C2O)C(=O)OCc2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)ccc1OAglycone:
COc1cc(C=CC(=O)OC(C)(C)C(O)C(=O)OCc2ccc(O)cc2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.53 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 14 |
| MolWt: | 740.71 | Num_heavy_atoms: | 52 |
| TPSA: | 280.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD52917
Formula: C22H24O8
Smiles:
COc1cc(C=CC(=O)OC(C)(C)C(O)C(=O)OCc2ccc(O)cc2)ccc1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 8 |
| MolWt: | 416.43 | Num_heavy_atoms: | 30 |
| TPSA: | 122.52 | NumAromaticRings: | 2 |
