Glycoside
GD157988
Name:
3-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,5-dimethoxyphenyl)prop-2-en-1-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C32H40O16Smiles:
COc1cc(C=CCOC(=O)C=Cc2ccc(O)c(O)c2)cc(OC)c1OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1OAglycone:
COc1cc(C=CCOC(=O)C=Cc2ccc(O)c(O)c2)cc(OC)c1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 12 |
| MolWt: | 680.66 | Num_heavy_atoms: | 48 |
| TPSA: | 243.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD54905
Formula: C20H20O7
Smiles:
COc1cc(C=CCOC(=O)C=Cc2ccc(O)c(O)c2)cc(OC)c1O| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 372.37 | Num_heavy_atoms: | 27 |
| TPSA: | 105.45 | NumAromaticRings: | 2 |
