Glycoside
GD028381
Name:
NoneFormula:
C19H17O6N3SSmiles:
N#Cc1c(-c2ccccc2)c(C#N)c(=S)n(C2OC(CO)C(O)C(O)C2O)c1OAglycone:
N#Cc1c(O)[nH]c(=S)c(C#N)c1-c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 415.43 | Num_heavy_atoms: | 29 |
| TPSA: | 162.89 | NumAromaticRings: | 2 |
Unique Aglycone
AD18551
Formula: C13H7ON3S
Smiles:
N#Cc1c(O)[nH]c(=S)c(C#N)c1-c1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 253.29 | Num_heavy_atoms: | 18 |
| TPSA: | 83.6 | NumAromaticRings: | 2 |
