Glycoside
GD145813
Name:
5-(acetyloxy)-4-hydroxy-3-{[3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}pentanoic acidFormula:
C22H28O13Smiles:
CC(=O)OCC(O)C(CC(=O)O)OC1OC(COC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1OAglycone:
CC(=O)OCC(O)C(O)CC(=O)O.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 11 |
| MolWt: | 500.45 | Num_heavy_atoms: | 35 |
| TPSA: | 209.51 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD58508
Formula: C7H12O6
Smiles:
CC(=O)OCC(O)C(O)CC(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 192.17 | Num_heavy_atoms: | 13 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
