Glycoside
GD017199
Name:
NoneFormula:
C31H62O21S10Smiles:
O=S(=O)(O)CCSCCCOC[C@@H]1O[C@H](OCCCSCCS(=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.O=S(=O)(O)CCSCCCO.O=S(=O)(O)CCSCCCO.O=S(=O)(O)CCSCCCO.O=S(=O)(O)CCSCCCOSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 41 |
| MolWt: | 1091.49 | Num_heavy_atoms: | 62 |
| TPSA: | 327.23 | 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 |
