Glycoside
GD145907
Name:
2-[4-(1,3-dihydroxy-2-{4-[4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}propyl)-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C39H50O18Smiles:
COc1cc(C2OCC3C(c4cc(OC)c(OC(CO)C(O)c5cc(OC)c(OC6OC(CO)C(O)C(O)C6O)c(OC)c5)c(OC)c4)OCC23)cc(OC)c1OAglycone:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C3OCC4C(c5cc(OC)c(O)c(OC)c5)OCC34)cc2OC)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.54 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 16 |
| MolWt: | 806.81 | Num_heavy_atoms: | 57 |
| TPSA: | 243.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD48487
Formula: C33H40O13
Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C3OCC4C(c5cc(OC)c(O)c(OC)c5)OCC34)cc2OC)cc(OC)c1O| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 13 |
| MolWt: | 644.67 | Num_heavy_atoms: | 46 |
| TPSA: | 163.99 | NumAromaticRings: | 3 |
