Glycoside
GD149713
Name:
3-(7-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-6-yl)prop-2-enoic acidFormula:
C18H20O10Smiles:
COc1c(C=CC(=O)O)c(OC2OC(CO)C(O)C(O)C2O)cc2ccoc12Aglycone:
COc1c(C=CC(=O)O)c(O)cc2ccoc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 396.35 | Num_heavy_atoms: | 28 |
| TPSA: | 159.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD59851
Formula: C12H10O5
Smiles:
COc1c(C=CC(=O)O)c(O)cc2ccoc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 234.21 | Num_heavy_atoms: | 17 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
