Glycoside
GD020653
Name:
2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C30H36O15Smiles:
COc1cc(C=CC(=O)O[C@H]2[C@H](CO)O[C@@H]3OC[C@@H](c4ccc(O)c(O)c4)O[C@H]3[C@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)ccc1OAglycone:
COc1cc(C=CC(=O)OC2C(CO)OC3OCC(c4ccc(O)c(O)c4)OC3C2O)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 636.6 | Num_heavy_atoms: | 45 |
| TPSA: | 223.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD14228
Formula: C24H26O11
Smiles:
COc1cc(C=CC(=O)OC2C(CO)OC3OCC(c4ccc(O)c(O)c4)OC3C2O)ccc1O| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.46 | Num_heavy_atoms: | 35 |
| TPSA: | 164.37 | NumAromaticRings: | 2 |
