Glycoside
GD137679
Name:
2-hydroxy-3,5-bis(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopentyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C23H32O13Smiles:
COc1cc(C=CC(=O)OC2C(CO)CC(CO)(OC3OC(CO)C(O)C(O)C3O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)OC2C(CO)CC(O)(CO)C2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | -2.75 | Num_rotatable_bonds: | 9 |
| MolWt: | 516.5 | Num_heavy_atoms: | 36 |
| TPSA: | 215.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD55614
Formula: C17H22O8
Smiles:
COc1cc(C=CC(=O)OC2C(CO)CC(O)(CO)C2O)ccc1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 354.36 | Num_heavy_atoms: | 25 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
