Glycoside
GD107896
Name:
NoneFormula:
C24H26O10N2SSmiles:
CC(=O)OC[C@@H]1O[C@H](SC2=N/C(=C/c3ccccc3)C(=O)N2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.O=C1NC(S)=NC1=Cc1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 534.54 | Num_heavy_atoms: | 37 |
| TPSA: | 155.89 | 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 |
AD44364
Formula: C10H8ON2S
Smiles:
O=C1NC(S)=NC1=Cc1ccccc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 204.25 | Num_heavy_atoms: | 14 |
| TPSA: | 41.46 | NumAromaticRings: | 1 |
