Glycoside
GD117008
Name:
5-hydroxy-2-methyl-6-({3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl}methoxy)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl 3-(3-methoxyphenyl)prop-2-enoateFormula:
C35H46O17Smiles:
COc1cccc(C=CC(=O)OC2C(C)OC(OCC3OC(OCCc4ccc(O)cc4)C(O)C(O)C3O)C(O)C2OC2OCC(O)C(O)C2O)c1Aglycone:
COc1cccc(C=CC(=O)O)c1.OCCc1ccc(O)cc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 13 |
| MolWt: | 738.74 | Num_heavy_atoms: | 52 |
| TPSA: | 252.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD03863
Formula: C8H10O2
Smiles:
OCCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD46172
Formula: C10H10O3
Smiles:
COc1cccc(C=CC(=O)O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
