Glycoside
GD157702
Name:
2-(4-hydroxyphenyl)ethyl 4-(2-butoxy-2-oxoethyl)-3-ethylidene-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C28H38O12Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OCCc2ccc(O)cc2)C1CC(=O)OCCCCAglycone:
CC=C1C(O)OC=C(C(=O)OCCc2ccc(O)cc2)C1CC(=O)OCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 12 |
| MolWt: | 566.6 | Num_heavy_atoms: | 40 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD62327
Formula: C22H28O7
Smiles:
CC=C1C(O)OC=C(C(=O)OCCc2ccc(O)cc2)C1CC(=O)OCCCC| HBA: | 7 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 404.46 | Num_heavy_atoms: | 29 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
