Glycoside
GD122141
Name:
3-{[3-({6-carboxy-3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6-({2-[(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-4-hydroxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl}oxy)-4,5-dihydroxyoxane-2-carboxylic acidFormula:
C42H66O36Smiles:
CC1OC(OC2C(C(=O)O)OC(OC3C(OC4C(C(=O)O)OC(OC5C(OC6C(C(=O)O)OC(O)C(O)C6O)OC(C)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)C4O)OC(C)C(O)C3O)C(O)C2O)C(O)C(O)C1OAglycone:
[empty]Sugarmoiety:
CC1OC(OC2C(C(=O)O)OC(OC3C(OC4C(C(=O)O)OC(OC5C(OC6C(C(=O)O)OC(O)C(O)C6O)OC(C)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)C4O)OC(C)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 36 | RingCount: | 7 |
| HBD: | 20 | FractionCSP3: | 0.93 |
| AlogP: | -12.92 | Num_rotatable_bonds: | 16 |
| MolWt: | 1146.95 | Num_heavy_atoms: | 78 |
| TPSA: | 575.8 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD05934
CC1OC(OC2C(C(=O)O)OC(OC3C(OC4C(C(=O)O)OC(OC5C(OC6C(C(=O)O)OC(O)C(O)C6O)OC(C)C(OC6OC(CO)C(O)C(O)C6O)C5O)C(O)C4O)OC(C)C(O)C3O)C(O)C2O)C(O)C(O)C1O