Glycoside
...
GD144569

Name:
2-({4-[16-({[3-hydroxy-5-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}cyclohexyl]methyl}peroxy)-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-6-yl]-2-methylbutyl}peroxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C55H92O23

Smiles:
COC1(CCC(C)COOC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OOCC6CC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6COC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C

Aglycone:
COC1(CCC(C)COO)OC2CC3C4CC=C5CC(OOCC6CC(CO)C(O)C(O)C6CO)CCC5(C)C4CCC3(C)C2C1C

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 12 FractionCSP3: 0.96
AlogP: -0.3 Num_rotatable_bonds: 19
MolWt: 1121.32 Num_heavy_atoms: 78
TPSA: 344.29 NumAromaticRings: 0

Unique Aglycone
AD58089
Formula: C37H62O10

Smiles:
COC1(CCC(C)COO)OC2CC3C4CC=C5CC(OOCC6CC(CO)C(O)C(O)C6CO)CCC5(C)C4CCC3(C)C2C1C
HBA: 10 RingCount: 6
HBD: 5 FractionCSP3: 0.95
AlogP: 4.73 Num_rotatable_bonds: 12
MolWt: 666.89 Num_heavy_atoms: 47
TPSA: 147.3 NumAromaticRings: 0

Sugarmoiety
SD04433

CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O