Glycoside
GD004516
Name:
NoneFormula:
C22H44O18P2Smiles:
O=P(O)(O)OC[C@@H]1O[C@H](OCCCCCCCCCCO[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.COP(=O)(O)O.OCCCCCCCCCCOSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 19 |
| MolWt: | 658.52 | Num_heavy_atoms: | 42 |
| TPSA: | 291.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD03932
Formula: C10H22O2
Smiles:
OCCCCCCCCCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 2.09 | Num_rotatable_bonds: | 9 |
| MolWt: | 174.28 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
