Glycoside
GD035779
Name:
NoneFormula:
C19H27O5N3S2Smiles:
Cc1ncc(Cc2csc(CCS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2C)c(N)n1Aglycone:
Cc1ncc(Cc2csc(CCS)c2C)c(N)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 441.58 | Num_heavy_atoms: | 29 |
| TPSA: | 141.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD22618
Formula: C13H17N3S2
Smiles:
Cc1ncc(Cc2csc(CCS)c2C)c(N)n1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 2.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 279.43 | Num_heavy_atoms: | 18 |
| TPSA: | 51.8 | NumAromaticRings: | 2 |
