Glycoside
GD118882
Name:
methyl 3-ethenyl-4-hydroxy-4-(2-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}ethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C26H32O13Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1(O)CCOC(=O)C=Cc1ccc(O)cc1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1(O)CCOC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 10 |
| MolWt: | 552.53 | Num_heavy_atoms: | 39 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD47571
Formula: C20H22O8
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1(O)CCOC(=O)C=Cc1ccc(O)cc1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
