Glycoside
GD153954
Name:
2-({11,17-dihydroxy-3,4-dimethoxytricyclo[12.3.1.1²,â¶]nonadeca-1(18),2(19),3,5,14,16-hexaen-5-yl}oxy)-6-({[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C32H44O15Smiles:
COc1c2cc(c(OC3OC(COC4OC(O)(CO)C(O)C4O)C(O)C(O)C3O)c1OC)CCCCC(O)CCc1ccc(O)c-2c1Aglycone:
COc1c2cc(c(O)c1OC)CCCCC(O)CCc1ccc(O)c-2c1Sugarmoiety:
OCC1(O)OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.62 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 668.69 | Num_heavy_atoms: | 47 |
| TPSA: | 237.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD14175
Formula: C21H26O5
Smiles:
COc1c2cc(c(O)c1OC)CCCCC(O)CCc1ccc(O)c-2c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 358.43 | Num_heavy_atoms: | 26 |
| TPSA: | 79.15 | NumAromaticRings: | 2 |
