Glycoside
GD108614
Name:
NoneFormula:
C24H26O10N2S2Smiles:
CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C(\C)c3ccncc3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CC(=C1SC(=S)NC1=O)c1ccncc1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 566.61 | Num_heavy_atoms: | 38 |
| TPSA: | 147.63 | 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 |
AD44457
Formula: C10H8ON2S2
Smiles:
CC(=C1SC(=S)NC1=O)c1ccncc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 236.32 | Num_heavy_atoms: | 15 |
| TPSA: | 41.99 | NumAromaticRings: | 1 |
