Glycoside
GD034895
Name:
NoneFormula:
C37H36O9N3F2ClSmiles:
Cc1c(-c2ccc3c(c2)OCCO3)cccc1C(F)(F)Oc1cc(OCc2ccnc(C#N)c2)c(CN[C@H](CO)[C@H](O)[C@H](O)[C@H](O)CO)cc1ClAglycone:
Cc1c(-c2ccc3c(c2)OCCO3)cccc1C(F)(F)Oc1cc(OCc2ccnc(C#N)c2)c(CNCCO)cc1ClSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 3.59 | Num_rotatable_bonds: | 15 |
| MolWt: | 728.15 | Num_heavy_atoms: | 51 |
| TPSA: | 186.78 | NumAromaticRings: | 4 |
Unique Aglycone
AD22127
Formula: C33H28O5N3F2Cl
Smiles:
Cc1c(-c2ccc3c(c2)OCCO3)cccc1C(F)(F)Oc1cc(OCc2ccnc(C#N)c2)c(CNCCO)cc1Cl| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 6.14 | Num_rotatable_bonds: | 11 |
| MolWt: | 608.04 | Num_heavy_atoms: | 43 |
| TPSA: | 105.86 | NumAromaticRings: | 4 |
