Glycoside
GD033558
Name:
NoneFormula:
C25H37O10N7SSmiles:
CC(C)(COC(=O)CCC(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)[C@H](O)C(=O)NCCC(=O)NCCSAglycone:
COC(=O)CCC(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCS.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 15 |
| MolWt: | 627.68 | Num_heavy_atoms: | 43 |
| TPSA: | 250.34 | 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 |
AD21406
Formula: C16H28O7N2S
Smiles:
COC(=O)CCC(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCS| HBA: | 9 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 12 |
| MolWt: | 392.47 | Num_heavy_atoms: | 26 |
| TPSA: | 131.03 | NumAromaticRings: | 0 |
