Glycoside
...
GD141741

Name:
Tigonin

Formula:
C56H92O27

Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C

Aglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:
OCC1OC(OC2C(O)C(CO)OC(OC3C(OC4C(CO)OC(O)C(O)C4O)OC(CO)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 11
HBD: 15 FractionCSP3: 1.0
AlogP: -4.45 Num_rotatable_bonds: 14
MolWt: 1197.33 Num_heavy_atoms: 83
TPSA: 414.21 NumAromaticRings: 0

Unique Aglycone
AD01572
Formula: C27H44O3

Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C
HBA: 3 RingCount: 6
HBD: 1 FractionCSP3: 1.0
AlogP: 5.79 Num_rotatable_bonds: 0
MolWt: 416.65 Num_heavy_atoms: 30
TPSA: 38.69 NumAromaticRings: 0

Sugarmoiety
SD00871

OCC1OC(OC2C(O)C(CO)OC(OC3C(OC4C(CO)OC(O)C(O)C4O)OC(CO)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O