Glycoside
GD131765
Name:
6-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-3-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acidFormula:
C24H40O22Smiles:
O=C(O)C1OC(OC2C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
[empty]Sugarmoiety:
O=C(O)C1OC(OC2C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.96 |
| AlogP: | -9.66 | Num_rotatable_bonds: | 10 |
| MolWt: | 680.56 | Num_heavy_atoms: | 46 |
| TPSA: | 364.9 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD07414
O=C(O)C1OC(OC2C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O