Glycoside
GD126713
Name:
Jaceidin 7-NeohesperidosideFormula:
C30H36O17Smiles:
COc1cc(-c2oc3cc(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)c(OC)c(O)c3c(=O)c2OC)ccc1OAglycone:
COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)ccc1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 668.6 | Num_heavy_atoms: | 47 |
| TPSA: | 256.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD51286
Formula: C18H16O8
Smiles:
COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.32 | Num_heavy_atoms: | 26 |
| TPSA: | 118.59 | NumAromaticRings: | 3 |
