Glycoside
GD080921
Name:
NoneFormula:
C13H21O5N6S2Smiles:
CSC[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)CC[NH3+])ncnc32)[C@H](O)[C@@H]1OAglycone:
[NH3+]CCS(=O)(=O)Nc1ncnc2c1N=C[N]2Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 7 |
| MolWt: | 405.48 | Num_heavy_atoms: | 26 |
| TPSA: | 167.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD36532
Formula: C7H10O2N6S
Smiles:
[NH3+]CCS(=O)(=O)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 4 |
| MolWt: | 242.26 | Num_heavy_atoms: | 16 |
| TPSA: | 126.05 | NumAromaticRings: | 1 |
