Glycoside
...
GD121817

Name:
None

Formula:
C40H65O18PS

Smiles:
CC(=O)OC1CC2C3CC(OP(=O)(O)OC4OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C4O)C4CC(OS(=O)(=O)O)CCC4(C)C3CCC2(C)C1C(C)CCCC(C)C

Aglycone:
CC(=O)OC1CC2C3CC(OP(=O)(O)O)C4CC(OS(=O)(=O)O)CCC4(C)C3CCC2(C)C1C(C)CCCC(C)C

Sugarmoiety:
CC(=O)OC1OC(O)C(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 5.42 Num_rotatable_bonds: 15
MolWt: 896.98 Num_heavy_atoms: 60
TPSA: 254.02 NumAromaticRings: 0

Unique Aglycone
AD03697
Formula: C29H51O10PS

Smiles:
CC(=O)OC1CC2C3CC(OP(=O)(O)O)C4CC(OS(=O)(=O)O)CCC4(C)C3CCC2(C)C1C(C)CCCC(C)C
HBA: 10 RingCount: 4
HBD: 3 FractionCSP3: 0.97
AlogP: 5.93 Num_rotatable_bonds: 10
MolWt: 622.76 Num_heavy_atoms: 41
TPSA: 156.66 NumAromaticRings: 0

Sugarmoiety
SD02296

CC(=O)OC1OC(O)C(O)C(OC(C)=O)C1OC(C)=O