Glycoside
GD134479
Name:
6-{4-[4-(4-{[1,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-2-(hydroxymethyl)oxane-3,4-diolFormula:
C44H58O22Smiles:
COc1cc(C(O)C(CO)Oc2c(OC)cc(C3OCC4C(c5cc(OC)c(OC6OC(CO)C(O)C(O)C6OC6OCC(O)(CO)C6O)c(OC)c5)OCC34)cc2OC)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(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 19 |
| MolWt: | 938.93 | Num_heavy_atoms: | 66 |
| TPSA: | 302.06 | 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 |
