Glycoside
GD151468
Name:
[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({3,4,5-trihydroxy-6-[(9-methoxy-9-oxononyl)oxy]oxan-2-yl}methoxy)oxan-2-yl)methoxy]phosphonic acidFormula:
C28H51O21PSmiles:
COC(=O)CCCCCCCCOC1OC(COC2OC(COP(=O)(O)O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COC(=O)CCCCCCCCO.COP(=O)(O)OSugarmoiety:
OCC1OC(OC2C(OCC3OC(O)C(O)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.96 |
| AlogP: | -4.53 | Num_rotatable_bonds: | 19 |
| MolWt: | 754.67 | Num_heavy_atoms: | 50 |
| TPSA: | 330.51 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
AD00933
Formula: C10H20O3
Smiles:
COC(=O)CCCCCCCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 188.27 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
