Glycoside
...
GD156084

Name:
[3,4-bis(acetyloxy)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-8'-oloxy}-5-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl acetate

Formula:
C51H74O19

Smiles:
CC(=O)OCC1OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C4CC4OC5(CCC(C)CO5)C(C)C43O)C2)C(OC2OC(C)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2C.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(C)OC(OC2C(O)OC(O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 1 FractionCSP3: 0.84
AlogP: 4.93 Num_rotatable_bonds: 11
MolWt: 991.13 Num_heavy_atoms: 70
TPSA: 233.41 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
AD05155
Formula: C27H42O4

Smiles:
CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1(O)C2C
HBA: 4 RingCount: 6
HBD: 2 FractionCSP3: 0.93
AlogP: 4.83 Num_rotatable_bonds: 0
MolWt: 430.63 Num_heavy_atoms: 31
TPSA: 58.92 NumAromaticRings: 0

Sugarmoiety
SD04223

CC(=O)OC1C(C)OC(OC2C(O)OC(O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=O