Glycoside
GD118459
Name:
2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-({17-hydroxy-3,4-dimethoxytricyclo[12.3.1.1²,â¶]nonadeca-1(17),2(19),3,5,11,14(18),15-heptaen-5-yl}oxy)oxane-3,4,5-triolFormula:
C32H42O13Smiles:
COc1c2cc(c(OC3OC(COC4OC(CO)C(O)C4O)C(O)C(O)C3O)c1OC)CCCCC=CCc1ccc(O)c-2c1Aglycone:
COc1c2cc(c(O)c1OC)CCCCC=CCc1ccc(O)c-2c1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 634.68 | Num_heavy_atoms: | 45 |
| TPSA: | 196.99 | NumAromaticRings: | 2 |
Unique Aglycone
AD47369
Formula: C21H24O4
Smiles:
COc1c2cc(c(O)c1OC)CCCCC=CCc1ccc(O)c-2c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 340.42 | Num_heavy_atoms: | 25 |
| TPSA: | 58.92 | NumAromaticRings: | 2 |
