Glycoside
GD101714
Name:
NoneFormula:
C19H24O9N2SSmiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccc(=S)[nH]c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Nc1ccc(=S)[nH]c1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 456.47 | Num_heavy_atoms: | 31 |
| TPSA: | 142.25 | 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 |
AD43070
Formula: C5H6N2S
Smiles:
Nc1ccc(=S)[nH]c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.18 | Num_heavy_atoms: | 8 |
| TPSA: | 41.81 | NumAromaticRings: | 1 |
