Glycoside
GD053132
Name:
NoneFormula:
C13H19O5N3SSmiles:
O=c1nc(N2CCSCC2)ccn1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OAglycone:
O=c1nc(N2CCSCC2)cc[nH]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 329.38 | Num_heavy_atoms: | 22 |
| TPSA: | 108.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD27237
Formula: C8H11ON3S
Smiles:
O=c1nc(N2CCSCC2)cc[nH]1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 197.26 | Num_heavy_atoms: | 13 |
| TPSA: | 48.99 | NumAromaticRings: | 1 |
