Glycoside
GD151001
Name:
2-(3,4-dihydroxyphenyl)ethyl 3-ethylidene-4-{2-[2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethoxy]-2-oxoethyl}-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylateFormula:
C38H48O20Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OCCc2ccc(O)c(O)c2)C1CC(=O)OCCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1Aglycone:
CC=C1C(O)OC=C(C(=O)OCCc2ccc(O)c(O)c2)C1CC(=O)OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.53 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 15 |
| MolWt: | 824.78 | Num_heavy_atoms: | 58 |
| TPSA: | 321.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD52293
Formula: C26H28O10
Smiles:
CC=C1C(O)OC=C(C(=O)OCCc2ccc(O)c(O)c2)C1CC(=O)OCCc1ccc(O)c(O)c1| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 500.5 | Num_heavy_atoms: | 36 |
| TPSA: | 162.98 | NumAromaticRings: | 2 |
