Glycoside
GD037125
Name:
NoneFormula:
C43H43O10N4F2ClSmiles:
Cc1c(-c2ccc3c(c2)OCCO3)cccc1C(F)(F)Oc1cc(OCc2ccnc(C#N)c2)c(CN2CCCC[C@H]2C(=O)N[C@@H]2C(O)O[C@H](CO)[C@H](O)[C@H]2O)cc1ClAglycone:
Cc1c(-c2ccc3c(c2)OCCO3)cccc1C(F)(F)Oc1cc(OCc2ccnc(C#N)c2)c(CN2CCCCC2C(N)=O)cc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 12 |
| MolWt: | 837.27 | Num_heavy_atoms: | 59 |
| TPSA: | 196.09 | NumAromaticRings: | 4 |
Unique Aglycone
AD23411
Formula: C37H33O5N4F2Cl
Smiles:
Cc1c(-c2ccc3c(c2)OCCO3)cccc1C(F)(F)Oc1cc(OCc2ccnc(C#N)c2)c(CN2CCCCC2C(N)=O)cc1Cl| HBA: | 9 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 6.9 | Num_rotatable_bonds: | 10 |
| MolWt: | 675.13 | Num_heavy_atoms: | 48 |
| TPSA: | 119.93 | NumAromaticRings: | 4 |
