Glycoside
GD111991
Name:
NoneFormula:
C34H36O10NSSmiles:
O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)ccc12Aglycone:
O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 10 |
| MolWt: | 650.73 | Num_heavy_atoms: | 46 |
| TPSA: | 167.42 | NumAromaticRings: | 4 |
Unique Aglycone
AD44744
Formula: C28H28O4NS
Smiles:
O=C(c1ccc(OCC[NH+]2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 4.66 | Num_rotatable_bonds: | 7 |
| MolWt: | 474.6 | Num_heavy_atoms: | 34 |
| TPSA: | 71.2 | NumAromaticRings: | 4 |
