Glycoside
GD126790
Name:
6-({2-[(4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-6-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxan-3-yl)oxy]-4,5-dihydroxyoxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C26H42O23Smiles:
O=C(O)C1OC(OC2C(OC3COC(OC4COC(O)C(O)C4O)C(O)C3OC3OC(CO)C(O)C3O)OCC(O)C2O)C(O)C(O)C1OAglycone:
[empty]Sugarmoiety:
O=C(O)C1OC(OC2C(OC3COC(OC4COC(O)C(O)C4O)C(O)C3OC3OC(CO)C(O)C3O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | -9.28 | Num_rotatable_bonds: | 10 |
| MolWt: | 722.6 | Num_heavy_atoms: | 49 |
| TPSA: | 363.13 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD06684
O=C(O)C1OC(OC2C(OC3COC(OC4COC(O)C(O)C4O)C(O)C3OC3OC(CO)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O