Glycoside
GD003783
Name:
NoneFormula:
C17H20O4N6Smiles:
C=C(C)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@H](O)[C@H]3O)c2n1Aglycone:
C=C(C)C#Cc1nc(N)c2c(n1)[N]C=N2.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 372.39 | Num_heavy_atoms: | 27 |
| TPSA: | 148.41 | NumAromaticRings: | 2 |
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 |
AD03389
Formula: C10H8N5
Smiles:
C=C(C)C#Cc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 198.21 | Num_heavy_atoms: | 15 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
