Glycoside
GD113007
Name:
NoneFormula:
C32H28O4N2S2Smiles:
Cc1ccc(O[C@H]2O[C@@H](SC3=N/C(=C\c4cccs4)C(=O)N3c3ccccc3)C[C@H]2Oc2ccc(C)cc2)cc1Aglycone:
Cc1ccc(O)cc1.Cc1ccc(O)cc1.O=C1C(=Cc2cccs2)N=C(S)N1c1ccccc1Sugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 6 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.19 |
| AlogP: | 7.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 568.72 | Num_heavy_atoms: | 40 |
| TPSA: | 60.36 | NumAromaticRings: | 4 |
Unique Aglycone
AD00732
Formula: C7H8O
Smiles:
Cc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD19762
Formula: C14H10ON2S2
Smiles:
O=C1C(=Cc2cccs2)N=C(S)N1c1ccccc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.38 | Num_heavy_atoms: | 19 |
| TPSA: | 32.67 | NumAromaticRings: | 2 |
