Glycoside
GD114292
Name:
2-[3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-{4-[4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}propoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H44O15Smiles:
COc1cc(C(O)C(COC2OC(CO)C(O)C(O)C2O)Oc2ccc(C3OCC4C(c5ccc(O)c(OC)c5)OCC34)cc2OC)ccc1OAglycone:
COc1cc(C(O)C(CO)Oc2ccc(C3OCC4C(c5ccc(O)c(OC)c5)OCC34)cc2OC)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 13 |
| MolWt: | 716.73 | Num_heavy_atoms: | 51 |
| TPSA: | 215.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD44963
Formula: C30H34O10
Smiles:
COc1cc(C(O)C(CO)Oc2ccc(C3OCC4C(c5ccc(O)c(OC)c5)OCC34)cc2OC)ccc1O| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 10 |
| MolWt: | 554.59 | Num_heavy_atoms: | 40 |
| TPSA: | 136.3 | NumAromaticRings: | 3 |
