Glycoside
GD021742
Name:
NoneFormula:
C29H30O11N2S2Smiles:
COc1ccc(N2C(=O)C(=Cc3cccs3)N=C2SC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1Aglycone:
COC(C)=O.COc1ccc(N2C(=O)C(=Cc3cccs3)N=C2S)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 9 |
| MolWt: | 646.7 | Num_heavy_atoms: | 44 |
| TPSA: | 156.33 | NumAromaticRings: | 2 |
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 |
AD14816
Formula: C15H12O2N2S2
Smiles:
COc1ccc(N2C(=O)C(=Cc3cccs3)N=C2S)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.07 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.41 | Num_heavy_atoms: | 21 |
| TPSA: | 41.9 | NumAromaticRings: | 2 |
