Glycoside
GD114776
Name:
2-(hydroxymethyl)-6-({3,11,17-trihydroxytricyclo[12.3.1.1²,â¶]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-yl}oxy)oxane-3,4,5-triolFormula:
C25H32O9Smiles:
OCC1OC(OC2CCc3ccc(O)c(c3)-c3cc(ccc3O)CCC(O)C2)C(O)C(O)C1OAglycone:
Oc1ccc2cc1-c1cc(ccc1O)CCC(O)CC(O)CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | 0.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 476.52 | Num_heavy_atoms: | 34 |
| TPSA: | 160.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD45277
Formula: C19H22O4
Smiles:
Oc1ccc2cc1-c1cc(ccc1O)CCC(O)CC(O)CC2| HBA: | 4 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 314.38 | Num_heavy_atoms: | 23 |
| TPSA: | 80.92 | NumAromaticRings: | 2 |
