Glycoside
GD016138
Name:
NoneFormula:
C25H25O6NSSmiles:
OC[C@@H]1O[C@H](Oc2cccc3[nH]cc(Cc4ccc(-c5ccsc5)cc4)c23)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1cccc2[nH]cc(Cc3ccc(-c4ccsc4)cc3)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 467.54 | Num_heavy_atoms: | 33 |
| TPSA: | 115.17 | NumAromaticRings: | 4 |
Unique Aglycone
AD11657
Formula: C19H15ONS
Smiles:
Oc1cccc2[nH]cc(Cc3ccc(-c4ccsc4)cc3)c12| HBA: | 2 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.05 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 305.4 | Num_heavy_atoms: | 22 |
| TPSA: | 36.02 | NumAromaticRings: | 4 |
