Glycoside
GD141495
Name:
2-(hydroxymethyl)-6-{4-[3-(hydroxymethyl)-7-methoxy-5-(3-methoxyprop-1-en-1-yl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy}oxane-3,4,5-triolFormula:
C27H34O11Smiles:
COCC=Cc1cc(OC)c2c(c1)C(CO)C(c1ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c1)O2Aglycone:
COCC=Cc1cc(OC)c2c(c1)C(CO)C(c1ccc(O)c(OC)c1)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 10 |
| MolWt: | 534.56 | Num_heavy_atoms: | 38 |
| TPSA: | 156.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD46143
Formula: C21H24O6
Smiles:
COCC=Cc1cc(OC)c2c(c1)C(CO)C(c1ccc(O)c(OC)c1)O2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 7 |
| MolWt: | 372.42 | Num_heavy_atoms: | 27 |
| TPSA: | 77.38 | NumAromaticRings: | 2 |
