Glycoside
GD128159
Name:
2,3,4,5-tetrahydroxy-6-({7-hydroxy-5-[(2,3,4,5,6-pentahydroxyhexyl)oxy]-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl}oxy)hexyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C36H42O19Smiles:
O=C(C=Cc1ccc(O)cc1)OCC(O)C(O)C(O)C(O)COC1=C(c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(OCC(O)C(O)C(O)C(O)CO)c2C1Aglycone:
O=CC=Cc1ccc(O)cc1.Oc1ccc2c(c1)OC(c1cc(O)c(O)c(O)c1)=CC2Sugarmoiety:
OCC(O)C(O)C(O)C(O)COO.OOCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.36 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 18 |
| MolWt: | 778.71 | Num_heavy_atoms: | 55 |
| TPSA: | 337.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD03800
Formula: C9H8O2
Smiles:
O=CC=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD45907
Formula: C15H12O5
Smiles:
Oc1ccc2c(c1)OC(c1cc(O)c(O)c(O)c1)=CC2| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.07 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
