Glycoside
GD147033
Name:
5-{[3-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]oxy}-3-methyl-5-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl}pentanoic acidFormula:
C30H44O17Smiles:
COc1cc(C=CCOC(=O)CC(C)(CC(=O)O)CC2OC(CO)C(O)C(O)C2O)cc(OC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C=CCOC(=O)CC(C)(C)CC(=O)O)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | -2.46 | Num_rotatable_bonds: | 15 |
| MolWt: | 676.67 | Num_heavy_atoms: | 47 |
| TPSA: | 271.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD58899
Formula: C18H24O7
Smiles:
COc1cc(C=CCOC(=O)CC(C)(C)CC(=O)O)cc(OC)c1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 9 |
| MolWt: | 352.38 | Num_heavy_atoms: | 25 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
