Glycoside
GD028206
Name:
NoneFormula:
C17H36O14P2SSmiles:
CCCCCCCCCCCCS(=O)(=O)O[C@@H]1OC(O)[C@H](OP(=O)(O)O)[C@H](O)[C@H]1OP(=O)(O)OAglycone:
CCCCCCCCCCCCS(=O)(=O)O.O=P(O)(O)O.O=P(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 17 |
| MolWt: | 558.48 | Num_heavy_atoms: | 34 |
| TPSA: | 226.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD18464
Formula: C12H26O3S
Smiles:
CCCCCCCCCCCCS(=O)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 11 |
| MolWt: | 250.4 | Num_heavy_atoms: | 16 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
