Glycoside
GD156729
Name:
2-({3,17-dihydroxytricyclo[12.3.1.1²,â¶]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H32O8Smiles:
OCC1OC(OC2CCCCc3ccc(O)c(c3)-c3cc(ccc3O)CC2)C(O)C(O)C1OAglycone:
Oc1ccc2cc1-c1cc(ccc1O)CCC(O)CCCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 460.52 | Num_heavy_atoms: | 33 |
| TPSA: | 139.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD62032
Formula: C19H22O3
Smiles:
Oc1ccc2cc1-c1cc(ccc1O)CCC(O)CCCC2| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 3.78 | Num_rotatable_bonds: | 0 |
| MolWt: | 298.38 | Num_heavy_atoms: | 22 |
| TPSA: | 60.69 | NumAromaticRings: | 2 |
