Glycoside
GD156304
Name:
3-[(5-{[4-({4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5-dihydroxy-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxane-2-carboxylic acidFormula:
C42H68O38Smiles:
O=C(O)C1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5C(C(=O)O)OC(OC6C(O)C(O)OC(CO)C6O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3O)C2O)C(O)C(O)C1OAglycone:
[empty]Sugarmoiety:
O=C(O)C1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5C(C(=O)O)OC(OC6C(O)C(O)OC(CO)C6O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 38 | RingCount: | 7 |
| HBD: | 23 | FractionCSP3: | 0.95 |
| AlogP: | -16.09 | Num_rotatable_bonds: | 19 |
| MolWt: | 1180.97 | Num_heavy_atoms: | 80 |
| TPSA: | 619.42 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD10444
O=C(O)C1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5C(C(=O)O)OC(OC6C(O)C(O)OC(CO)C6O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3O)C2O)C(O)C(O)C1O