Glycoside
GD140130
Name:
2-({1,3-dihydroxy-1-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H34O13Smiles:
COc1cc(C2Oc3c(OC)cc(C(O)C(CO)OC4OC(CO)C(O)C(O)C4O)cc3C2CO)ccc1OAglycone:
COc1cc(C2Oc3c(OC)cc(C(O)C(O)CO)cc3C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 10 |
| MolWt: | 554.55 | Num_heavy_atoms: | 39 |
| TPSA: | 207.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD00453
Formula: C20H24O8
Smiles:
COc1cc(C2Oc3c(OC)cc(C(O)C(O)CO)cc3C2CO)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 392.4 | Num_heavy_atoms: | 28 |
| TPSA: | 128.84 | NumAromaticRings: | 2 |
