Glycoside
GD065877
Name:
NoneFormula:
C14H22O5N4SSmiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2cc(N3CCSCC3)ncn2)[C@@H](O)[C@@H]1OAglycone:
Nc1cc(N2CCSCC2)ncn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 358.42 | Num_heavy_atoms: | 24 |
| TPSA: | 131.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD31679
Formula: C8H12N4S
Smiles:
Nc1cc(N2CCSCC2)ncn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 1 |
| MolWt: | 196.28 | Num_heavy_atoms: | 13 |
| TPSA: | 55.04 | NumAromaticRings: | 1 |
