Glycoside
GD001989
Name:
NoneFormula:
C18H18O6N6Smiles:
N#Cc1ccc(Cn2c(=O)n(C3OC(CO)[C@H](O)[C@H]3O)c3nc(N)nc(O)c32)cc1Aglycone:
N#Cc1ccc(Cn2c(=O)[nH]c3nc(N)nc(O)c32)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 414.38 | Num_heavy_atoms: | 30 |
| TPSA: | 192.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD01936
Formula: C13H10O2N6
Smiles:
N#Cc1ccc(Cn2c(=O)[nH]c3nc(N)nc(O)c32)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.08 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.26 | Num_heavy_atoms: | 21 |
| TPSA: | 133.61 | NumAromaticRings: | 3 |
