Glycoside
GD140977
Name:
5-[3-({2-[(6-{[4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy}-2-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}methyl)-4,5-dihydroxyoxan-3-yl)oxy]-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl}oxy)-2-hydroxypropoxy]-6-(hydroxymethyl)oxane-2,3,4-triolFormula:
C36H64O27Smiles:
COC1C(CO)OC(OCC2OC(OC3C(CO)OC(C)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(OC)C(O)C2OCC(O)COC2C(CO)OC(O)C(O)C2O)C(O)C1OAglycone:
OCC(O)COSugarmoiety:
COOC(O)C(O)C(O)OCC1OC(OC2C(CO)OC(C)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC)C(O)C1OCC(O)COC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 27 | RingCount: | 5 |
| HBD: | 15 | FractionCSP3: | 1.0 |
| AlogP: | -10.17 | Num_rotatable_bonds: | 19 |
| MolWt: | 928.88 | Num_heavy_atoms: | 63 |
| TPSA: | 414.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD00405
Formula: C3H8O3
Smiles:
OCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.09 | Num_heavy_atoms: | 6 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
Sugarmoiety
SD08644
COOC(O)C(O)C(O)OCC1OC(OC2C(CO)OC(C)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC)C(O)C1OCC(O)COC1C(CO)OC(O)C(O)C1O