Glycoside
GD017126
Name:
NoneFormula:
C20H40O18P2Smiles:
O=P(O)(O)OC[C@@H]1O[C@H](OCCCCCCCCO[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.OCCCCCCCCOSugarmoiety:
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: | -2.81 | Num_rotatable_bonds: | 17 |
| MolWt: | 630.47 | Num_heavy_atoms: | 40 |
| 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 |
AD12263
Formula: C8H18O2
Smiles:
OCCCCCCCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 146.23 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
