Glycoside
GD124856
Name:
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 2-{[7,8,11,12,13,22,23-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyloxy)-2,17,20-trioxatetracyclo[17.3.1.0â´,â¹.0¹â°,¹âµ]tricosa-4(9),5,7,10,12,14-hexaen-6-yl]oxy}-3,4,5-trihydroxybenzoateFormula:
C40H36O28Smiles:
O=C(OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(Oc4c(C(=O)OCC5OC(O)C(O)C(O)C5O)cc(O)c(O)c4O)c(O)c3O)C(=O)OC(C2O)C1O)c1cc(O)c(O)c(O)c1Aglycone:
COC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)C(=O)OCC1OC(OC(=O)c3cc(O)c(O)c(O)c3)C(O)C(OC2=O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 28 | RingCount: | 7 |
| HBD: | 17 | FractionCSP3: | 0.3 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 964.7 | Num_heavy_atoms: | 68 |
| TPSA: | 476.8 | NumAromaticRings: | 4 |
Unique Aglycone
AD50466
Formula: C35H28O23
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)C(=O)OCC1OC(OC(=O)c3cc(O)c(O)c(O)c3)C(O)C(OC2=O)C1O| HBA: | 23 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.2 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 816.59 | Num_heavy_atoms: | 58 |
| TPSA: | 386.65 | NumAromaticRings: | 4 |
