Glycoside
GD097960
Name:
NoneFormula:
C18H29O5N6S2Smiles:
CC(C)CSC[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)[C@H]4CC[NH2+]C4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CSCC(C)C.O=S(=O)(Nc1ncnc2c1N=C[N]2)C1CC[NH2+]C1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | -1.09 | Num_rotatable_bonds: | 8 |
| MolWt: | 473.6 | Num_heavy_atoms: | 31 |
| TPSA: | 156.07 | 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 |
AD38796
Formula: C9H12O2N6S
Smiles:
O=S(=O)(Nc1ncnc2c1N=C[N]2)C1CC[NH2+]C1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 268.3 | Num_heavy_atoms: | 18 |
| TPSA: | 115.02 | NumAromaticRings: | 1 |
