Glycoside
...
GD126091

Name:
Cynascyroside A

Formula:
C40H60O13

Smiles:
COC1CC(OC2C(C)OC(OC3C(O)CC(OC4CC5=CCC6C(=O)C(c7ccoc7C)CCC6C5(C)CC4O)OC3C)CC2OC)OC(C)C1O

Aglycone:
Cc1occc1C1CCC2C(CC=C3CC(O)C(O)CC32C)C1=O

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(O)CC(O)OC3C)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 3 FractionCSP3: 0.82
AlogP: 4.07 Num_rotatable_bonds: 9
MolWt: 748.91 Num_heavy_atoms: 53
TPSA: 164.74 NumAromaticRings: 1

Unique Aglycone
AD46211
Formula: C20H26O4

Smiles:
Cc1occc1C1CCC2C(CC=C3CC(O)C(O)CC32C)C1=O
HBA: 4 RingCount: 4
HBD: 2 FractionCSP3: 0.65
AlogP: 3.12 Num_rotatable_bonds: 1
MolWt: 330.42 Num_heavy_atoms: 24
TPSA: 70.67 NumAromaticRings: 1

Sugarmoiety
SD01400

COC1CC(OC2C(C)OC(OC3C(O)CC(O)OC3C)CC2OC)OC(C)C1O