Glycoside
GD015827
Name:
NoneFormula:
C24H21O3N5Smiles:
C[C@@H]1O[C@H](n2cc(-c3ccccc3)c3c(Nc4ccc(C#N)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
N#Cc1ccc(Nc2ncnc3c2C(c2ccccc2)=C[N]3)cc1Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.21 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 427.46 | Num_heavy_atoms: | 32 |
| TPSA: | 116.22 | NumAromaticRings: | 4 |
Unique Aglycone
AD11455
Formula: C19H12N5
Smiles:
N#Cc1ccc(Nc2ncnc3c2C(c2ccccc2)=C[N]3)cc1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 310.34 | Num_heavy_atoms: | 24 |
| TPSA: | 75.7 | NumAromaticRings: | 3 |
