Glycoside
GD149820
Name:
3-ethenyl-4-[2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)ethyl]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acidFormula:
C30H40O18Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CCOC(=O)c1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1Aglycone:
C=CC1C(O)OC=C(C(=O)O)C1CCOC(=O)c1ccc(O)c(OC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.6 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 13 |
| MolWt: | 688.63 | Num_heavy_atoms: | 48 |
| TPSA: | 280.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD59889
Formula: C18H20O8
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CCOC(=O)c1ccc(O)c(OC)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 364.35 | Num_heavy_atoms: | 26 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
