Glycoside
...
GD117110

Name:
Cynanoside J

Formula:
C41H62O15

Smiles:
COC1CC(OC2C(O)CC(OC3C(C)OC(OC4CC5=CCC6C(=O)OC7COC8(C)OC=C(CCC6C5(C)CC4O)C78)CC3OC)OC2C)OC(C)C1O

Aglycone:
CC12OC=C3CCC4C(CC=C5CC(O)C(O)CC54C)C(=O)OC(CO1)C32

Sugarmoiety:
COC1CC(OC2C(O)CC(OC3C(C)OC(O)CC3OC)OC2C)OC(C)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 3 FractionCSP3: 0.88
AlogP: 3.0 Num_rotatable_bonds: 8
MolWt: 794.93 Num_heavy_atoms: 56
TPSA: 179.29 NumAromaticRings: 0

Unique Aglycone
AD44956
Formula: C21H28O6

Smiles:
CC12OC=C3CCC4C(CC=C5CC(O)C(O)CC54C)C(=O)OC(CO1)C32
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.76
AlogP: 2.05 Num_rotatable_bonds: 0
MolWt: 376.45 Num_heavy_atoms: 27
TPSA: 85.22 NumAromaticRings: 0

Sugarmoiety
SD01754

COC1CC(OC2C(O)CC(OC3C(C)OC(O)CC3OC)OC2C)OC(C)C1O