Glycoside
GD129826
Name:
3-{[6-carboxy-5-({6-carboxy-5-[(6-carboxy-5-{[6-carboxy-5-({6-carboxy-5-[(6-carboxy-3,4-dihydroxyoxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)-3,4-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl)oxy]-3,4-dihydroxyoxan-2-yl}oxy)-3,4-dihydroxyoxan-2-yl]oxy}-6-({2-carboxy-6-[(2-carboxy-6-{[2-carboxy-6-({2-carboxy-6-[(2-carboxy-4,5,6-trihydroxyoxan-3-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)-4,5-dihydroxyoxan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)-4,5-dihydroxyoxane-2-carboxylic acidFormula:
C72H98O72Smiles:
O=C(O)C1CC(O)C(O)C(OC2C(C(=O)O)OC(OC3C(C(=O)O)OC(OC4C(C(=O)O)OC(OC5C(C(=O)O)OC(OC6C(C(=O)O)OC(OC7C(C(=O)O)OC(OC8C(C(=O)O)OC(OC9C(C(=O)O)OC(OC%10C(C(=O)O)OC(OC%11C(C(=O)O)OC(OC%12C(C(=O)O)OC(O)C(O)C%12O)C(O)C%11O)C(O)C%10O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)O1Aglycone:
[empty]Sugarmoiety:
O=C(O)C1CC(O)C(O)C(OC2C(C(=O)O)OC(OC3C(C(=O)O)OC(OC4C(C(=O)O)OC(OC5C(C(=O)O)OC(OC6C(C(=O)O)OC(OC7C(C(=O)O)OC(OC8C(C(=O)O)OC(OC9C(C(=O)O)OC(OC%10C(C(=O)O)OC(OC%11C(C(=O)O)OC(OC%12C(C(=O)O)OC(O)C(O)C%12O)C(O)C%11O)C(O)C%10O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)O1Other Identifiers
Properties
| HBA: | 72 | RingCount: | 12 |
| HBD: | 37 | FractionCSP3: | 0.83 |
| AlogP: | -25.02 | Num_rotatable_bonds: | 34 |
| MolWt: | 2115.5 | Num_heavy_atoms: | 144 |
| TPSA: | 1165.64 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD07141
O=C(O)C1CC(O)C(O)C(OC2C(C(=O)O)OC(OC3C(C(=O)O)OC(OC4C(C(=O)O)OC(OC5C(C(=O)O)OC(OC6C(C(=O)O)OC(OC7C(C(=O)O)OC(OC8C(C(=O)O)OC(OC9C(C(=O)O)OC(OC%10C(C(=O)O)OC(OC%11C(C(=O)O)OC(OC%12C(C(=O)O)OC(O)C(O)C%12O)C(O)C%11O)C(O)C%10O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)O1