Glycoside
GD008305
Name:
NoneFormula:
C9H21O15P3Smiles:
O=P(O)(O)OCCC[C@@H]1O[C@H](CO)[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OAglycone:
CCCOP(=O)(O)O.O=P(O)(O)O.O=P(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -2.05 | Num_rotatable_bonds: | 10 |
| MolWt: | 462.17 | Num_heavy_atoms: | 27 |
| TPSA: | 249.97 | 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 |
AD01196
Formula: C3H9O4P
Smiles:
CCCOP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 140.07 | Num_heavy_atoms: | 8 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
