Glycoside
GD128271
Name:
methyl 3-(3,6-dihydroxy-2-oxo-3a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexahydrofuro[3,2-b]furan-3-yl)-3-(4-hydroxyphenyl)propanoateFormula:
C22H28O14Smiles:
COC(=O)CC(c1ccc(O)cc1)C1(O)C(=O)OC2C(O)COC21OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)CC(c1ccc(O)cc1)C1(O)C(=O)OC2C(O)COC21OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -3.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 516.45 | Num_heavy_atoms: | 36 |
| TPSA: | 221.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD51961
Formula: C16H18O9
Smiles:
COC(=O)CC(c1ccc(O)cc1)C1(O)C(=O)OC2C(O)COC21O| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 4 |
| MolWt: | 354.31 | Num_heavy_atoms: | 25 |
| TPSA: | 142.75 | NumAromaticRings: | 1 |
