Glycoside
...
GD115063

Name:
Cp 91243

Formula:
C50H84O18

Smiles:
COC1C(C(C)C2OC3(CCC(C)(C4CCC(C)(C5OC(C6OC(C)(O)C(C)CC6C)CC5OC5CCC(O)C(C)O5)O4)O3)CC(O)C2C)OC(O)(CC(=O)O)C(C)C1OC1CCC(O)C(C)O1

Aglycone:
CC1OC(O)CCC1O.CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(O)C(C)CC5C)CC4OC4CCC(O)C(C)O4)O3)O2)CC(O)C1C

Sugarmoiety:
COC1C(O)OC(O)(CC(=O)O)C(C)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 6 FractionCSP3: 0.98
AlogP: 4.29 Num_rotatable_bonds: 12
MolWt: 973.2 Num_heavy_atoms: 68
TPSA: 239.98 NumAromaticRings: 0

Unique Aglycone
AD00171
Formula: C6H12O3

Smiles:
CC1OC(O)CCC1O
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 1.0
AlogP: -0.14 Num_rotatable_bonds: 0
MolWt: 132.16 Num_heavy_atoms: 9
TPSA: 49.69 NumAromaticRings: 0
AD45453
Formula: C35H60O10

Smiles:
CCC1OC2(CCC(C)(C3CCC(C)(C4OC(C5OC(C)(O)C(C)CC5C)CC4OC4CCC(O)C(C)O4)O3)O2)CC(O)C1C
HBA: 10 RingCount: 6
HBD: 3 FractionCSP3: 1.0
AlogP: 4.58 Num_rotatable_bonds: 6
MolWt: 640.86 Num_heavy_atoms: 45
TPSA: 125.3 NumAromaticRings: 0

Sugarmoiety
SD01005

COC1C(O)OC(O)(CC(=O)O)C(C)C1O