Glycoside
GD009544
Name:
NoneFormula:
C24H32O4N12SSmiles:
Nc1nc2ncc(CNCCN3CCC(SC[C@@H]4O[C@H](n5cnc6c(N)ncnc65)[C@H](O)[C@H]4O)CC3)nc2c(=O)[nH]1Aglycone:
CSC1CCN(CCNCc2cnc3nc(N)[nH]c(=O)c3n2)CC1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 584.67 | Num_heavy_atoms: | 41 |
| TPSA: | 232.13 | NumAromaticRings: | 4 |
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 |
AD07475
Formula: C15H23ON7S
Smiles:
CSC1CCN(CCNCc2cnc3nc(N)[nH]c(=O)c3n2)CC1| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 349.46 | Num_heavy_atoms: | 24 |
| TPSA: | 112.82 | NumAromaticRings: | 2 |
