Glycoside
GD027175
Name:
NoneFormula:
C23H27O11N7SSmiles:
NC(=O)c1csc([C@@H]2O[C@H](COC(=O)CCC(=O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)n1Aglycone:
COC(=O)CCC(=O)OC.NC(=O)c1cscn1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 10 |
| MolWt: | 609.57 | Num_heavy_atoms: | 42 |
| TPSA: | 277.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD00051
Formula: C4H4ON2S
Smiles:
NC(=O)c1cscn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 128.16 | Num_heavy_atoms: | 8 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
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 |
AD05232
Formula: C6H10O4
Smiles:
COC(=O)CCC(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 146.14 | Num_heavy_atoms: | 10 |
| TPSA: | 52.6 | NumAromaticRings: | 0 |
