Glycoside
...
GD152972

Name:
[(2,3,4-trihydroxy-8-methyl-1-{[(2,3,4-trihydroxy-6-{1,2,5,6-tetrahydroxy-4-methyl-7-[10-methyl-8-(4,6,7,10,13,14,18,20-octahydroxy-12-methyl-20-{10,14,16,19,20,24,26,28,33,34,39,41,44,48,54,58,60,63,64-nonadecahydroxy-13,37,46,53,63-pentamethyl-2,30-dioxo-31,66-dioxa-3-azabicyclo[60.3.1]hexahexaconta-5,7,11,17,21,35,42,46,50,52,56-undecaen-32-yl}-15-(sulfooxy)icos-8-en-1-yl)-1,7-dioxaspiro[5.5]undecan-2-yl]heptyl}oxan-2-yl)methyl]carbamoyl}tridecan-6-yl)oxy]sulfonic acid

Formula:
C128H220O53N2S2

Smiles:
CCCCCC(C)CC(CC(O)C(O)C(O)CC(O)=NCC1(O)OC(C(O)C(O)CC(C)C(O)C(O)CC2CCCC3(CC(C)CC(CCCC(O)CC(O)C(O)C=CC(O)CC(C)C(O)C(O)C(CCC(O)CC(O)C4OC(=O)CC(O)CC(O)CC(O)CC=CC(O)C(O)C=CC(O)CC(O)C(C)C=CC(O)CC=CC=CCN=C(O)C5CC(O)C(C)(O)C(CC(O)CC(O)C=CCC(O)C(C)=CC=CCC(O)C=C(C)CC(O)C=CC(O)CC(O)CC(C)C=CC(O)C4O)O5)OS(=O)(=O)O)O3)O2)CC(O)C1O)OS(=O)(=O)O

Aglycone:
CC1=CC(O)CC=CC=C(C)C(O)CC=CC(O)CC(O)CC2OC(CC(O)C2(C)O)C(O)=NCC=CC=CCC(O)C=CC(C)C(O)CC(O)C=CC(O)C(O)C=CCC(O)CC(O)CC(O)CC(=O)OC(C(O)CC(O)CCC(OS(=O)(=O)O)C(O)C(O)C(C)CC(O)C=CC(O)C(O)CC(O)CCCC2CC(C)CC3(CCCC(CC(O)C(O)C(C)CC(O)CO)O3)O2)C(O)C(O)C=CC(C)CC(O)CC(O)C=CC(O)C1.CCCCCC(C)CC(CC(O)C(O)C(O)CC(O)=NC)OS(=O)(=O)O

Sugarmoiety:
OC1CC(O)C(O)C(O)(O)O1

Other Identifiers

Properties
HBA: 55 RingCount: 5
HBD: 41 FractionCSP3: 0.79
AlogP: -0.34 Num_rotatable_bonds: 46
MolWt: 2699.26 Num_heavy_atoms: 185
TPSA: 1004.11 NumAromaticRings: 0

Unique Aglycone
AD46457
Formula: C16H33O8NS

Smiles:
CCCCCC(C)CC(CC(O)C(O)C(O)CC(O)=NC)OS(=O)(=O)O
HBA: 9 RingCount: 0
HBD: 5 FractionCSP3: 0.94
AlogP: 1.23 Num_rotatable_bonds: 14
MolWt: 399.51 Num_heavy_atoms: 26
TPSA: 156.88 NumAromaticRings: 0
AD60866
Formula: C107H181O41NS

Smiles:
CC1=CC(O)CC=CC=C(C)C(O)CC=CC(O)CC(O)CC2OC(CC(O)C2(C)O)C(O)=NCC=CC=CCC(O)C=CC(C)C(O)CC(O)C=CC(O)C(O)C=CCC(O)CC(O)CC(O)CC(=O)OC(C(O)CC(O)CCC(OS(=O)(=O)O)C(O)C(O)C(C)CC(O)C=CC(O)C(O)CC(O)CCCC2CC(C)CC3(CCCC(CC(O)C(O)C(C)CC(O)CO)O3)O2)C(O)C(O)C=CC(C)CC(O)CC(O)C=CC(O)C1
HBA: 42 RingCount: 4
HBD: 33 FractionCSP3: 0.76
AlogP: 0.48 Num_rotatable_bonds: 29
MolWt: 2169.66 Num_heavy_atoms: 150
TPSA: 777.31 NumAromaticRings: 0

Sugarmoiety
SD08036

OC1CC(O)C(O)C(O)(O)O1