Glycoside
GD004006
Name:
NoneFormula:
C30H29O4N7FBrSmiles:
O=C(NC1CC1)[C@@H]1OC(n2cnc3c(NCCc4cn(Cc5ccc(Br)cc5F)c5ccccc45)ncnc32)[C@H](O)[C@H]1OAglycone:
Fc1cc(Br)ccc1Cn1cc(CCNc2ncnc3c2N=C[N]3)c2ccccc21.O=CNC1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 9 |
| MolWt: | 650.51 | Num_heavy_atoms: | 43 |
| TPSA: | 139.35 | NumAromaticRings: | 5 |
Unique Aglycone
AD00527
Formula: C4H7ON
Smiles:
O=CNC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 85.11 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD03561
Formula: C22H17N6FBr
Smiles:
Fc1cc(Br)ccc1Cn1cc(CCNc2ncnc3c2N=C[N]3)c2ccccc21| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 4.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.32 | Num_heavy_atoms: | 30 |
| TPSA: | 69.2 | NumAromaticRings: | 4 |
