Glycoside
GD123956
Name:
4-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}cyclohexyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C36H48O19Smiles:
CC1OC(OCC2CC(OCCc3ccc(O)c(O)c3)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(CO)CC(OCCc2ccc(O)c(O)c2)C(O)C1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.58 |
| AlogP: | -2.53 | Num_rotatable_bonds: | 13 |
| MolWt: | 784.76 | Num_heavy_atoms: | 55 |
| TPSA: | 315.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD50050
Formula: C24H28O10
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(CO)CC(OCCc2ccc(O)c(O)c2)C(O)C1O| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 476.48 | Num_heavy_atoms: | 34 |
| TPSA: | 177.14 | NumAromaticRings: | 2 |
