Glycoside
GD078837
Name:
NoneFormula:
C17H17O3N7SSmiles:
CSC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(C#N)nc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
N#Cc1ccc(Nc2ncnc3c2N=C[N]3)cn1Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 399.44 | Num_heavy_atoms: | 28 |
| TPSA: | 142.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD36221
Formula: C11H6N7
Smiles:
N#Cc1ccc(Nc2ncnc3c2N=C[N]3)cn1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.22 | Num_heavy_atoms: | 18 |
| TPSA: | 100.95 | NumAromaticRings: | 2 |
