Glycoside
GD022832
Name:
NoneFormula:
C17H27O17P3Smiles:
O=P(O)(O)O[C@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](Cc3ccccc3)OC[C@H]2OP(=O)(O)O)[C@H](O)[C@H]1OP(=O)(O)OAglycone:
Cc1ccccc1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)OSugarmoiety:
OCC1OC(OC2C(O)COC2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 11 |
| MolWt: | 596.31 | Num_heavy_atoms: | 37 |
| TPSA: | 268.43 | 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 |
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 92.14 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
