Glycoside
...
GD120674

Name:
None

Formula:
C45H74O20S

Smiles:
CC(CCC1(O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6S(=O)(=O)O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O

Aglycone:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C

Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(S(=O)(=O)O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 11 FractionCSP3: 0.96
AlogP: -0.94 Num_rotatable_bonds: 13
MolWt: 967.13 Num_heavy_atoms: 66
TPSA: 321.28 NumAromaticRings: 0

Unique Aglycone
AD01953
Formula: C27H44O4

Smiles:
CC(CO)CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.93
AlogP: 4.67 Num_rotatable_bonds: 4
MolWt: 432.65 Num_heavy_atoms: 31
TPSA: 69.92 NumAromaticRings: 0

Sugarmoiety
SD05661

CC1OC(OC2C(CO)OC(O)C(S(=O)(=O)O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O