Glycoside
GD120878
Name:
[2-({6-[(2-{2,3-bis[(3,7,11,15-tetramethylhexadecyl)oxy]propoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acidFormula:
C61H118O21SSmiles:
CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COC1OC(CO)C(O)C(O)C1OC1OC(COC2OC(CO)C(O)C(OS(=O)(=O)O)C2O)C(O)C(O)C1O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)CAglycone:
CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(CO)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C.O=S(=O)(O)OSugarmoiety:
OCC1OC(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | 6.61 | Num_rotatable_bonds: | 45 |
| MolWt: | 1219.66 | Num_heavy_atoms: | 83 |
| TPSA: | 319.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD48602
Formula: C43H88O3
Smiles:
CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(CO)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 13.31 | Num_rotatable_bonds: | 34 |
| MolWt: | 653.17 | Num_heavy_atoms: | 46 |
| TPSA: | 38.69 | NumAromaticRings: | 0 |
