Glycoside
GD130651
Name:
{[3,4,5-tris(benzoyloxy)-6-(hydroxymethyl)oxan-2-yl]oxy}({[3,4,5-tris(benzoyloxy)-6-{[hydroxy({[3,4,5-tris(acetyloxy)-6-methoxyoxan-2-yl]methoxy})phosphoryl]oxy}oxan-2-yl]methoxy})phosphinic acidFormula:
C67H66O31P2Smiles:
COC1OC(COP(=O)(O)OC2OC(COP(=O)(O)OC3OC(CO)C(OC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COP(=O)(O)O.COP(=O)(O)O.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
COC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 31 | RingCount: | 9 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 6.22 | Num_rotatable_bonds: | 27 |
| MolWt: | 1429.18 | Num_heavy_atoms: | 100 |
| TPSA: | 405.37 | NumAromaticRings: | 6 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
