Glycoside
...
GD120396

Name:
Cynanoside D

Formula:
C47H70O19

Smiles:
COC1CC(OC2CC3=CCC4C(=O)OC(c5ccoc5C)=CCC4C3(C)CC2O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1

Aglycone:
Cc1occc1C1=CCC2C(CC=C3CC(O)C(O)CC32C)C(=O)O1

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 5 FractionCSP3: 0.81
AlogP: 2.39 Num_rotatable_bonds: 13
MolWt: 939.06 Num_heavy_atoms: 66
TPSA: 242.12 NumAromaticRings: 1

Unique Aglycone
AD48366
Formula: C20H24O5

Smiles:
Cc1occc1C1=CCC2C(CC=C3CC(O)C(O)CC32C)C(=O)O1
HBA: 5 RingCount: 4
HBD: 2 FractionCSP3: 0.55
AlogP: 2.96 Num_rotatable_bonds: 1
MolWt: 344.41 Num_heavy_atoms: 25
TPSA: 79.9 NumAromaticRings: 1

Sugarmoiety
SD02036

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1