Glycoside
GD136793
Name:
6-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(2,4,5,6-tetrahydroxyhexan-3-yl)oxy]oxan-3-yl]oxy}-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acidFormula:
C24H42O21Smiles:
CC(O)C(OC1OC(CO)C(OC2OC(C(=O)O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)C(O)COAglycone:
[empty]Sugarmoiety:
CC(O)C(OC1OC(CO)C(OC2OC(C(=O)O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 21 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.96 |
| AlogP: | -8.99 | Num_rotatable_bonds: | 13 |
| MolWt: | 666.58 | Num_heavy_atoms: | 45 |
| TPSA: | 355.67 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD08099
CC(O)C(OC1OC(CO)C(OC2OC(C(=O)O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)C(O)CO