Glycoside
GD123732
Name:
4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-{[3-({6-carboxy-4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,5-dihydroxyoxan-2-yl}oxy)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-[(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy]oxane-2-carboxylic acidFormula:
C36H54O33Smiles:
CC1OC(O)C(OC2OC(C(=O)O)C(OC3OC(C)C(O)C(O)C3OC3OC(C(=O)O)C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)C3O)C(OC3OC(C(=O)O)C(O)C(O)C3O)C2O)C(O)C1OAglycone:
[empty]Sugarmoiety:
CC1OC(O)C(OC2OC(C(=O)O)C(OC3OC(C)C(O)C(O)C3OC3OC(C(=O)O)C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)C3O)C(OC3OC(C(=O)O)C(O)C(O)C3O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 33 | RingCount: | 6 |
| HBD: | 18 | FractionCSP3: | 0.89 |
| AlogP: | -11.68 | Num_rotatable_bonds: | 14 |
| MolWt: | 1014.8 | Num_heavy_atoms: | 69 |
| TPSA: | 533.95 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD06191
CC1OC(O)C(OC2OC(C(=O)O)C(OC3OC(C)C(O)C(O)C3OC3OC(C(=O)O)C(O)C(OC4OC(C(=O)O)C(O)C(O)C4O)C3O)C(OC3OC(C(=O)O)C(O)C(O)C3O)C2O)C(O)C1O