Glycoside
GD032322
Name:
NoneFormula:
C33H29O10N4FSmiles:
COc1c2occc2c(OC)c2c(=O)c(-c3cc(-c4ccc(F)cc4)c4c(N=C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)ncnc4n3)c(C)oc12Aglycone:
C=Nc1ncnc2nc(-c3c(C)oc4c(OC)c5occc5c(OC)c4c3=O)cc(-c3ccc(F)cc3)c12Sugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 10 |
| MolWt: | 660.61 | Num_heavy_atoms: | 48 |
| TPSA: | 213.99 | NumAromaticRings: | 6 |
Unique Aglycone
AD20356
Formula: C28H19O5N4F
Smiles:
C=Nc1ncnc2nc(-c3c(C)oc4c(OC)c5occc5c(OC)c4c3=O)cc(-c3ccc(F)cc3)c12| HBA: | 9 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 6.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 510.48 | Num_heavy_atoms: | 38 |
| TPSA: | 112.84 | NumAromaticRings: | 6 |
