Glycoside
GD126964
Name:
2-{[5-({5-[({5-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl)methyl]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H72O33Smiles:
CC1OC(CC2C(CO)OC(OCC3OC(OC4C(CO)OC(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
[empty]Sugarmoiety:
CC1OC(CC2C(CO)OC(OCC3OC(OC4C(CO)OC(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 33 | RingCount: | 7 |
| HBD: | 21 | FractionCSP3: | 1.0 |
| AlogP: | -13.95 | Num_rotatable_bonds: | 18 |
| MolWt: | 1105.01 | Num_heavy_atoms: | 75 |
| TPSA: | 535.59 | NumAromaticRings: | 0 |
Unique Aglycone
Sugarmoiety
SD06710
CC1OC(CC2C(CO)OC(OCC3OC(OC4C(CO)OC(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O