Glycoside
GD000443
Name:
NoneFormula:
C23H29O10PSmiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@H]1OP(=O)(O)OCc1ccc(C)cc1Aglycone:
Cc1ccc(C(=O)O)cc1.Cc1ccc(COP(=O)(O)O)cc1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 496.45 | Num_heavy_atoms: | 34 |
| TPSA: | 140.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD00492
Formula: C8H8O2
Smiles:
Cc1ccc(C(=O)O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00493
Formula: C8H11O4P
Smiles:
Cc1ccc(COP(=O)(O)O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 202.15 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
