Glycoside
GD013429
Name:
NoneFormula:
C52H102O35S16Smiles:
O=S(=O)(O)CCSCCCOC[C@@H]1O[C@H](O[C@@]2(COCCCSCCS(=O)(=O)O)O[C@H](COCCCSCCS(=O)(=O)O)[C@H](OCCCSCCS(=O)(=O)O)[C@H]2OCCCSCCS(=O)(=O)O)[C@H](OCCCSCCS(=O)(=O)O)[C@H](OCCCSCCS(=O)(=O)O)[C@H]1OCCCSCCS(=O)(=O)OAglycone:
COCCCSCCS(=O)(=O)O.COCCCSCCS(=O)(=O)O.COCCCSCCS(=O)(=O)O.O=S(=O)(O)CCSCCCO.O=S(=O)(O)CCSCCCO.O=S(=O)(O)CCSCCCO.O=S(=O)(O)CCSCCCO.O=S(=O)(O)CCSCCCOSugarmoiety:
OC1OC(OC2(O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 35 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 69 |
| MolWt: | 1800.43 | Num_heavy_atoms: | 103 |
| TPSA: | 536.49 | NumAromaticRings: | 0 |
Unique Aglycone
AD10023
Formula: C6H14O4S2
Smiles:
COCCCSCCS(=O)(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 7 |
| MolWt: | 214.31 | Num_heavy_atoms: | 12 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD10024
Formula: C5H12O4S2
Smiles:
O=S(=O)(O)CCSCCCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 200.28 | Num_heavy_atoms: | 11 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
