Glycoside

GD152635
Name:
Capsicoside AFormula:
C63H106O35Smiles:
CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(OC8OC(CO)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C6O)C(O)CC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(OC4C(O)C(O)OC(CO)C4O)C(O)C3O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 35 | RingCount: | 11 |
HBD: | 22 | FractionCSP3: | 1.0 |
AlogP: | -9.34 | Num_rotatable_bonds: | 22 |
MolWt: | 1423.51 | Num_heavy_atoms: | 98 |
TPSA: | 565.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD06801
Formula: C27H46O5
Smiles:
CC(CO)CCC1(O)OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C2C1CHBA: | 5 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 1.0 |
AlogP: | 3.72 | Num_rotatable_bonds: | 4 |
MolWt: | 450.66 | Num_heavy_atoms: | 32 |
TPSA: | 90.15 | NumAromaticRings: | 0 |
Sugarmoiety

SD10037
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(OC4C(O)C(O)OC(CO)C4O)C(O)C3O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O