Glycoside
GD116451
Name:
2-[4-(acetyloxy)phenyl]-3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-4-oxo-4H-chromen-7-yl 3-(4-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoateFormula:
C44H48O24Smiles:
CC(=O)Oc1ccc(-c2oc3cc(OC(=O)C=Cc4ccc(O)cc4OC4OC(CO)C(O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc1Aglycone:
CC(=O)Oc1ccc(-c2oc3cc(OC(=O)C=Cc4ccc(O)cc4O)cc(O)c3c(=O)c2O)cc1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.43 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 13 |
| MolWt: | 960.84 | Num_heavy_atoms: | 68 |
| TPSA: | 380.95 | NumAromaticRings: | 4 |
Unique Aglycone
AD46241
Formula: C26H18O10
Smiles:
CC(=O)Oc1ccc(-c2oc3cc(OC(=O)C=Cc4ccc(O)cc4O)cc(O)c3c(=O)c2O)cc1| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.04 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.42 | Num_heavy_atoms: | 36 |
| TPSA: | 163.73 | NumAromaticRings: | 4 |
