Glycoside
GD137026
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-(hydroxymethyl)oxane-3,4,5-triolFormula:
C27H36O10Smiles:
COc1c2cc(c(OC3OC(CO)C(O)C(O)C3O)c1OC)CCCCC(O)CCc1ccc(O)c-2c1Aglycone:
COc1c2cc(c(O)c1OC)CCCCC(O)CCc1ccc(O)c-2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 520.58 | Num_heavy_atoms: | 37 |
| TPSA: | 158.3 | 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 |
