Glycoside
GD139333
Name:
3-[(3-{[3-({3-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-(hydroxymethyl)oxane-2,4,5-triolFormula:
C42H72O36Smiles:
OCC1OC(OC2C(OC3C(OC4C(OC5C(OC6C(OC7C(O)OC(CO)C(O)C7O)OC(CO)C(O)C6O)OC(CO)C(O)C5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
[empty]Sugarmoiety:
OCC1OC(OC2C(OC3C(OC4C(OC5C(OC6C(OC7C(O)OC(CO)C(O)C7O)OC(CO)C(O)C6O)OC(CO)C(O)C5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 36 | RingCount: | 7 |
| HBD: | 23 | FractionCSP3: | 1.0 |
| AlogP: | -16.28 | Num_rotatable_bonds: | 19 |
| MolWt: | 1153.0 | Num_heavy_atoms: | 78 |
| TPSA: | 585.28 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD08430
OCC1OC(OC2C(OC3C(OC4C(OC5C(OC6C(OC7C(O)OC(CO)C(O)C7O)OC(CO)C(O)C6O)OC(CO)C(O)C5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O