Glycoside
GD108925
Name:
NoneFormula:
C22H24O9N4SSmiles:
CC(=O)OC[C@@H]1O[C@H](n2c(N)c(C#N)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Cc1c(C#N)c(N)[nH]c(=S)c1C#NSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 520.52 | Num_heavy_atoms: | 36 |
| TPSA: | 192.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD02858
Formula: C8H6N4S
Smiles:
Cc1c(C#N)c(N)[nH]c(=S)c1C#N| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 0 |
| MolWt: | 190.23 | Num_heavy_atoms: | 13 |
| TPSA: | 89.39 | NumAromaticRings: | 1 |
