Glycoside
GD015453
Name:
NoneFormula:
C26H32O5N6Smiles:
CCCCCc1ccc(C#Cc2nc(NOC)c3ncn([C@@H]4O[C@H](C(=O)NCC)[C@H](O)[C@H]4O)c3n2)cc1Aglycone:
CCCCCc1ccc(C#Cc2nc3c(c(NOC)n2)N=C[N]3)cc1.CCNC=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 508.58 | Num_heavy_atoms: | 37 |
| TPSA: | 143.65 | NumAromaticRings: | 3 |
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 |
AD11228
Formula: C19H20ON5
Smiles:
CCCCCc1ccc(C#Cc2nc3c(c(NOC)n2)N=C[N]3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.32 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.4 | Num_heavy_atoms: | 25 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
