Glycoside
GD100757
Name:
NoneFormula:
C19H29O6N5S2Smiles:
CC(C)CSC[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)C[C@H]4CCCO4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CSCC(C)C.O=S(=O)(CC1CCCO1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.74 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 487.6 | Num_heavy_atoms: | 32 |
| TPSA: | 148.69 | 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 |
AD39160
Formula: C10H12O3N5S
Smiles:
O=S(=O)(CC1CCCO1)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 282.31 | Num_heavy_atoms: | 19 |
| TPSA: | 107.64 | NumAromaticRings: | 1 |
