Glycoside
GD122446
Name:
2-{4-[7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H32O11Smiles:
COc1cc(C2Oc3c(O)cc(CCCO)cc3C2CO)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2Oc3c(O)cc(CCCO)cc3C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 9 |
| MolWt: | 508.52 | Num_heavy_atoms: | 36 |
| TPSA: | 178.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD01816
Formula: C19H22O6
Smiles:
COc1cc(C2Oc3c(O)cc(CCCO)cc3C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
