Glycoside
...
GD150042

Name:
Sublanceoside K1

Formula:
C54H84O19

Smiles:
COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(C)OC(OC5C(C)OC(OC6CC7=CCC8C(=O)C(c9ccoc9C)CCC8C7(C)CC6O)CC5OC)CC4OC)OC3C)CC2OC)OC(C)C1O

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

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(C)OC(OC5C(C)OC(O)CC5OC)CC4OC)OC3C)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 9
HBD: 3 FractionCSP3: 0.87
AlogP: 5.14 Num_rotatable_bonds: 15
MolWt: 1037.25 Num_heavy_atoms: 73
TPSA: 220.12 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
SD06365

COC1CC(OC2C(C)OC(OC3C(O)CC(OC4C(C)OC(OC5C(C)OC(O)CC5OC)CC4OC)OC3C)CC2OC)OC(C)C1O