Glycoside
GD085182
Name:
NoneFormula:
C20H20O6N2SSmiles:
O=C(C#Cc1ccccn1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
O=C(C#Cc1ccccn1)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 416.46 | Num_heavy_atoms: | 29 |
| TPSA: | 132.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD38103
Formula: C14H10ON2S
Smiles:
O=C(C#Cc1ccccn1)Nc1ccc(S)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 1 |
| MolWt: | 254.31 | Num_heavy_atoms: | 18 |
| TPSA: | 41.99 | NumAromaticRings: | 2 |
