Glycoside
GD032191
Name:
NoneFormula:
C69H131O23PSmiles:
CCCCCCCCCCCCCCCCO[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O[C@H]1[C@H](O[C@@H]2O[C@H](COC(=O)CCCCCCCCCCCCCCC)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCC(=O)OC.CCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.97 |
| AlogP: | 9.88 | Num_rotatable_bonds: | 58 |
| MolWt: | 1359.76 | Num_heavy_atoms: | 93 |
| TPSA: | 356.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD03475
Formula: C17H34O2
Smiles:
CCCCCCCCCCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.94 |
| AlogP: | 5.64 | Num_rotatable_bonds: | 14 |
| MolWt: | 270.46 | Num_heavy_atoms: | 19 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD15479
Formula: C41H81O12P
Smiles:
CCCCCCCCCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O| HBA: | 12 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.98 |
| AlogP: | 8.2 | Num_rotatable_bonds: | 37 |
| MolWt: | 797.06 | Num_heavy_atoms: | 54 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
