Glycoside
GD018923
Name:
NoneFormula:
C29H30O9N4SSmiles:
CC(=O)OC[C@@H]1O[C@H](n2nc(-c3ccccc3)n(N=Cc3ccccc3)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.S=c1[nH]nc(-c2ccccc2)n1N=Cc1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.34 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 9 |
| MolWt: | 610.65 | Num_heavy_atoms: | 43 |
| TPSA: | 149.54 | NumAromaticRings: | 3 |
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 |
AD13265
Formula: C15H12N4S
Smiles:
S=c1[nH]nc(-c2ccccc2)n1N=Cc1ccccc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 3 |
| MolWt: | 280.36 | Num_heavy_atoms: | 20 |
| TPSA: | 45.97 | NumAromaticRings: | 3 |
