Glycoside
GD119737
Name:
5-[(6-{[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]methyl}-5-[(6-{[(3-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl)oxy]-6-(hydroxymethyl)oxane-2,3,4-triolFormula:
C57H96O47Smiles:
CC1OC(OC2C(OC3C(OCC4OC(OC5C(CO)OC(O)C(O)C5O)C(O)C(O)C4OC4OC(COC5OCC(O)C(O)C5OC5OC(CO)C(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(O)C5O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
[empty]Sugarmoiety:
CC1OC(OC2C(OC3C(OCC4OC(OC5C(CO)OC(O)C(O)C5O)C(O)C(O)C4OC4OC(COC5OCC(O)C(O)C5OC5OC(CO)C(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(O)C5O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 47 | RingCount: | 10 |
| HBD: | 28 | FractionCSP3: | 1.0 |
| AlogP: | -19.86 | Num_rotatable_bonds: | 24 |
| MolWt: | 1533.35 | Num_heavy_atoms: | 104 |
| TPSA: | 741.81 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD05494
CC1OC(OC2C(OC3C(OCC4OC(OC5C(CO)OC(O)C(O)C5O)C(O)C(O)C4OC4OC(COC5OCC(O)C(O)C5OC5OC(CO)C(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(O)C5O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O