Glycoside
GD156625
Name:
3-(6-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-methoxy-1-benzofuran-5-yl)propanoic acidFormula:
C24H32O15Smiles:
COc1c(CCC(=O)O)c(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)cc2occc12Aglycone:
COc1c(CCC(=O)O)c(O)cc2occc12Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 10 |
| MolWt: | 560.51 | Num_heavy_atoms: | 39 |
| TPSA: | 238.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD35296
Formula: C12H12O5
Smiles:
COc1c(CCC(=O)O)c(O)cc2occc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 236.22 | Num_heavy_atoms: | 17 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
