Glycoside
GD008967
Name:
NoneFormula:
C25H24O5N4SSmiles:
Cc1c(N=Nc2ccccc2)c(-c2ccccc2)n(C2OC(CO)C(O)C(O)C2O)c(=S)c1C#NAglycone:
Cc1c(N=Nc2ccccc2)c(-c2ccccc2)[nH]c(=S)c1C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.56 | Num_heavy_atoms: | 35 |
| TPSA: | 143.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD07092
Formula: C19H14N4S
Smiles:
Cc1c(N=Nc2ccccc2)c(-c2ccccc2)[nH]c(=S)c1C#N| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.05 |
| AlogP: | 6.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.42 | Num_heavy_atoms: | 24 |
| TPSA: | 64.3 | NumAromaticRings: | 3 |
