Glycoside
...
GD119793

Name:
8a-[6-({[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl] 4-(2-hydroxypropyl) 3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylate

Formula:
C57H92O26

Smiles:
CC(O)COC(=O)C1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)CCC21C

Aglycone:
CC(O)COC(=O)C1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C

Sugarmoiety:
OCC1OC(OC2C(OCC3OC(O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 9
HBD: 15 FractionCSP3: 0.93
AlogP: -3.13 Num_rotatable_bonds: 15
MolWt: 1193.34 Num_heavy_atoms: 83
TPSA: 420.66 NumAromaticRings: 0

Unique Aglycone
AD48053
Formula: C33H52O6

Smiles:
CC(O)COC(=O)C1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CCC3(C(=O)O)CCC21C
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.88
AlogP: 6.14 Num_rotatable_bonds: 4
MolWt: 544.77 Num_heavy_atoms: 39
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD00461

OCC1OC(OC2C(OCC3OC(O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O