Glycoside
GD029426
Name:
NoneFormula:
C22H26O7N14SSmiles:
[N-]=[N+]=NC[C@@H]1O[C@H](n2c(SCC(=O)NC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)nc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNC(=O)CSC1=Nc2c(N)ncnc2[N]1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.[N-]=[N+]=NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -2.41 | Num_rotatable_bonds: | 9 |
| MolWt: | 630.61 | Num_heavy_atoms: | 44 |
| TPSA: | 316.48 | 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 |
AD18731
Formula: C8H9ON6S
Smiles:
CNC(=O)CSC1=Nc2c(N)ncnc2[N]1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 2 |
| MolWt: | 237.27 | Num_heavy_atoms: | 16 |
| TPSA: | 107.36 | NumAromaticRings: | 1 |
