Glycoside
GD014034
Name:
NoneFormula:
C16H20O4N2S3Smiles:
OC[C@@H]1O[C@H](Sc2nc3sc4c(c3c(=S)[nH]2)CCCCC4)[C@H](O)[C@H]1OAglycone:
S=c1[nH]c(S)nc2sc3c(c12)CCCCC3Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 400.55 | Num_heavy_atoms: | 25 |
| TPSA: | 98.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD06616
Formula: C11H12N2S3
Smiles:
S=c1[nH]c(S)nc2sc3c(c12)CCCCC3| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 0 |
| MolWt: | 268.43 | Num_heavy_atoms: | 16 |
| TPSA: | 28.68 | NumAromaticRings: | 2 |
