Glycoside
GD137161
Name:
{[3,4,5-trihydroxy-6-({[hydroxy({[3,4,5-trihydroxy-6-({[hydroxy({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy}methyl)oxan-2-yl]oxy})phosphoryl]oxy}methyl)oxan-2-yl]oxy}phosphonic acidFormula:
C18H35O25P3Smiles:
O=P(O)(O)OC1OC(COP(=O)(O)OC2OC(COP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COP(=O)(O)O.COP(=O)(O)O.O=P(O)(O)OSugarmoiety:
OC1OOC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -7.22 | Num_rotatable_bonds: | 13 |
| MolWt: | 744.38 | Num_heavy_atoms: | 46 |
| TPSA: | 408.27 | 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 |
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 |
