Glycoside
...
GD123816

Name:
[4,5-bis(acetyloxy)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate

Formula:
C53H78O20

Smiles:
CC(=O)OCC1OC(OC2C(COC(C)=O)OC(OC3CCC4(C)C(CCC5C4CCC4(C)C5CC5OC6(CCC(C)CO6)C(C)C54)C3)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C.COC(C)=O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 0 FractionCSP3: 0.87
AlogP: 5.44 Num_rotatable_bonds: 13
MolWt: 1035.19 Num_heavy_atoms: 73
TPSA: 239.48 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD01572
Formula: C27H44O3

Smiles:
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C
HBA: 3 RingCount: 6
HBD: 1 FractionCSP3: 1.0
AlogP: 5.79 Num_rotatable_bonds: 0
MolWt: 416.65 Num_heavy_atoms: 30
TPSA: 38.69 NumAromaticRings: 0

Sugarmoiety
SD00271

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O