Glycoside
GD100681
Name:
NoneFormula:
C18H27O5N5S2Smiles:
CC(C)CSC[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)CC4CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CSCC(C)C.O=S(=O)(CC1CC1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.72 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 457.58 | Num_heavy_atoms: | 30 |
| TPSA: | 139.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD00748
Formula: C5H12S
Smiles:
CSCC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 104.22 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD33776
Formula: C9H10O2N5S
Smiles:
O=S(=O)(CC1CC1)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 4 |
| MolWt: | 252.28 | Num_heavy_atoms: | 17 |
| TPSA: | 98.41 | NumAromaticRings: | 1 |
