Glycoside
GD157621
Name:
Junipercomnoside BFormula:
C32H44O15Smiles:
COc1cc(C2Oc3c(OC)cc(CCCOC4OC(CO)C(O)C(O)C4O)cc3C2COC2OC(C)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 12 |
| MolWt: | 668.69 | Num_heavy_atoms: | 47 |
| TPSA: | 226.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD01856
Formula: C20H24O6
Smiles:
COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 7 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 88.38 | NumAromaticRings: | 2 |
