Glycoside
GD011786
Name:
NoneFormula:
C20H26O4N8Smiles:
CCNC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(NCCc4ccc(N)cc4)nc32)[C@H](O)[C@H]1OAglycone:
CCNC=O.Nc1ccc(CCNc2nc(N)c3c(n2)[N]C=N3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.4 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 442.48 | Num_heavy_atoms: | 32 |
| TPSA: | 186.46 | 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 |
AD08960
Formula: C13H14N7
Smiles:
Nc1ccc(CCNc2nc(N)c3c(n2)[N]C=N3)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.15 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 268.3 | Num_heavy_atoms: | 20 |
| TPSA: | 116.31 | NumAromaticRings: | 2 |
