Glycoside
GD065592
Name:
NoneFormula:
C14H19O6N3SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cnc3sccn23)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1cnc2sccn12Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.57 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 357.39 | Num_heavy_atoms: | 24 |
| TPSA: | 125.55 | NumAromaticRings: | 2 |
Unique Aglycone
AD31551
Formula: C8H9O2N3S
Smiles:
O=C(NCCO)c1cnc2sccn12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 211.25 | Num_heavy_atoms: | 14 |
| TPSA: | 66.63 | NumAromaticRings: | 2 |
