Glycoside
GD114581
Name:
(5-{[5-(acetyloxy)-4-hydroxy-6-(hydroxymethyl)-3-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxan-2-yl]oxy}-5-[(acetyloxy)methyl]-3-hydroxy-4-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}oxolan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C43H44O19Smiles:
CC(=O)OCC1(OC2OC(CO)C(OC(C)=O)C(O)C2OC(=O)C=Cc2ccc(O)cc2)OC(COC(=O)C=Cc2ccc(O)cc2)C(O)C1OC(=O)C=Cc1ccc(O)cc1Aglycone:
COC(=O)C=Cc1ccc(O)cc1.COC(C)=O.O=C(O)C=Cc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(OC2(O)OC(CO)C(O)C2O)OC1COOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 16 |
| MolWt: | 864.81 | Num_heavy_atoms: | 62 |
| TPSA: | 280.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
