Glycoside
GD122380
Name:
methyl 3-ethenyl-4-(2-{[3-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}ethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C32H42O18Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CCOC(=O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.56 |
| AlogP: | -2.83 | Num_rotatable_bonds: | 13 |
| MolWt: | 714.67 | Num_heavy_atoms: | 50 |
| TPSA: | 280.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD49309
Formula: C20H22O8
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CCOC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
