Glycoside
GD007865
Name:
NoneFormula:
C21H38O3N8SSmiles:
NCCCNCCCCCC(CCN)SC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CSC(CCN)CCCCCNCCCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.76 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 15 |
| MolWt: | 482.66 | Num_heavy_atoms: | 33 |
| TPSA: | 183.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD06357
Formula: C12H29N3S
Smiles:
CSC(CCN)CCCCCNCCCN| HBA: | 3 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 12 |
| MolWt: | 247.45 | Num_heavy_atoms: | 16 |
| TPSA: | 64.07 | NumAromaticRings: | 0 |
