Glycoside
GD139437
Name:
(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-methoxyphenyl)prop-2-enoateFormula:
C22H30O13Smiles:
COc1ccc(C=CC(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)cc1Aglycone:
COC(=O)C=Cc1ccc(OC)cc1Sugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -3.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 502.47 | Num_heavy_atoms: | 35 |
| TPSA: | 204.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD11989
Formula: C11H12O3
Smiles:
COC(=O)C=Cc1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.21 | Num_heavy_atoms: | 14 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
