Glycoside
GD151349
Name:
2-{4-[5-(1-hydroxyethyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H34O12Smiles:
COc1cc(C2Oc3c(OC)cc(C(C)O)cc3C2CO)cc(OC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2Oc3c(OC)cc(C(C)O)cc3C2CO)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 538.55 | Num_heavy_atoms: | 38 |
| TPSA: | 176.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD60368
Formula: C20H24O7
Smiles:
COc1cc(C2Oc3c(OC)cc(C(C)O)cc3C2CO)cc(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 376.41 | Num_heavy_atoms: | 27 |
| TPSA: | 97.61 | NumAromaticRings: | 2 |
