Glycoside
GD036952
Name:
NoneFormula:
C37H34O9N3F2ClSmiles:
Cc1c(-c2ccc3c(c2)OCCO3)cccc1C(F)(F)Oc1cc(OCc2ccnc(C#N)c2)c(CN[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(CN)cc1ClSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 11 |
| MolWt: | 726.13 | Num_heavy_atoms: | 51 |
| TPSA: | 175.78 | NumAromaticRings: | 4 |
Unique Aglycone
AD23296
Formula: C31H24O4N3F2Cl
Smiles:
Cc1c(-c2ccc3c(c2)OCCO3)cccc1C(F)(F)Oc1cc(OCc2ccnc(C#N)c2)c(CN)cc1Cl| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 6.52 | Num_rotatable_bonds: | 8 |
| MolWt: | 563.99 | Num_heavy_atoms: | 40 |
| TPSA: | 99.62 | NumAromaticRings: | 4 |
