Glycoside
GD027407
Name:
NoneFormula:
C26H27O4N6FSmiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(F)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Fc1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 506.54 | Num_heavy_atoms: | 37 |
| TPSA: | 134.42 | NumAromaticRings: | 4 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD11981
Formula: C19H15N5F
Smiles:
Fc1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 3.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 332.36 | Num_heavy_atoms: | 25 |
| TPSA: | 64.27 | NumAromaticRings: | 3 |
