Glycoside
GD005911
Name:
NoneFormula:
C20H33O19P3Smiles:
O=P(O)(O)OC1[C@H](O)[C@@H](O[C@H]2[C@H](CO)OC(OCCCc3ccccc3)[C@H]2OP(=O)(O)O)OC(CO)[C@H]1OP(=O)(O)OAglycone:
O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.OCCCc1ccccc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.7 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 15 |
| MolWt: | 670.39 | Num_heavy_atoms: | 42 |
| TPSA: | 297.89 | NumAromaticRings: | 1 |
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 |
AD01225
Formula: C9H12O
Smiles:
OCCCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 136.19 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
