Glycoside
GD123705
Name:
2-{[3-hydroxy-6-({6-hydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}-4-[(4,5,6-trihydroxyoxan-3-yl)oxy]oxan-3-yl}oxy)-2-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H68O33Smiles:
CC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C2OC2COC(O)C(O)C2O)C(O)C(O)C1OAglycone:
[empty]Sugarmoiety:
CC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C2OC2COC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 33 | RingCount: | 7 |
| HBD: | 20 | FractionCSP3: | 1.0 |
| AlogP: | -13.97 | Num_rotatable_bonds: | 16 |
| MolWt: | 1076.95 | Num_heavy_atoms: | 73 |
| TPSA: | 524.59 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD06185
CC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C2OC2COC(O)C(O)C2O)C(O)C(O)C1O