Glycoside
GD030760
Name:
NoneFormula:
C22H30O4N8Smiles:
N=C(N)NCCc1cn(C[C@@H]2O[C@H](CC(=O)NCCc3c[nH]c4ccccc34)[C@H](O)[C@H]2O)nn1Aglycone:
CC(=O)NCCc1c[nH]c2ccccc12.Cn1cc(CCNC(=N)N)nn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 470.53 | Num_heavy_atoms: | 34 |
| TPSA: | 187.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD19898
Formula: C12H14ON2
Smiles:
CC(=O)NCCc1c[nH]c2ccccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 3 |
| MolWt: | 202.26 | Num_heavy_atoms: | 15 |
| TPSA: | 44.89 | NumAromaticRings: | 2 |
AD19899
Formula: C6H12N6
Smiles:
Cn1cc(CCNC(=N)N)nn1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 168.2 | Num_heavy_atoms: | 12 |
| TPSA: | 92.61 | NumAromaticRings: | 1 |
