Glycoside
GD016920
Name:
NoneFormula:
C55H93O45NSSmiles:
O=C(NCCSC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)[C@H](O)[C@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)COAglycone:
[NH]CCSC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3OSugarmoiety:
O=CC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)COOther Identifiers
Properties
| HBA: | 46 | RingCount: | 22 |
| HBD: | 29 | FractionCSP3: | 0.98 |
| AlogP: | -20.16 | Num_rotatable_bonds: | 18 |
| MolWt: | 1520.38 | Num_heavy_atoms: | 102 |
| TPSA: | 743.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD12128
Formula: C43H72O34NS
Smiles:
[NH]CCSC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O| HBA: | 35 | RingCount: | 21 |
| HBD: | 21 | FractionCSP3: | 1.0 |
| AlogP: | -14.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 1179.09 | Num_heavy_atoms: | 79 |
| TPSA: | 557.62 | NumAromaticRings: | 0 |
