Glycoside
...
GD145217

Name:
[4-hydroxy-2-(2-hydroxypropyl)-6-[1,4,8-trihydroxy-13-(3-{21-[3-hydroxy-5-(2-methylidenepent-4-en-1-yl)oxolan-2-yl]-3-methyl-17-methylidenehenicosa-11,15,19-trien-1-yl}oxiran-2-yl)-6-oxo-10-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}tridecyl]oxan-3-yl]oxidanesulfonic acid

Formula:
C68H114O25S

Smiles:
C=CCC(=C)CC1CC(O)C(CC=CCC(=C)C=CCCC=CCCCCCCCC(C)CCC2OC2CCCC(CC(O)CC(=O)CC(O)CCC(O)C2CC(O)C(OS(=O)(=O)O)C(CC(C)O)O2)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)O1

Aglycone:
C=CCC(=C)CC1CC(O)C(CC=CCC(=C)C=CCCC=CCCCCCCCC(C)CCC2OC2CCCC(O)CC(O)CC(=O)CC(O)CCC(O)C2CC(O)C(OS(=O)(=O)O)C(CC(C)O)O2)O1

Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 5
HBD: 14 FractionCSP3: 0.81
AlogP: 3.99 Num_rotatable_bonds: 47
MolWt: 1363.7 Num_heavy_atoms: 94
TPSA: 411.57 NumAromaticRings: 0

Unique Aglycone
AD58304
Formula: C56H94O15S

Smiles:
C=CCC(=C)CC1CC(O)C(CC=CCC(=C)C=CCCC=CCCCCCCCC(C)CCC2OC2CCCC(O)CC(O)CC(=O)CC(O)CCC(O)C2CC(O)C(OS(=O)(=O)O)C(CC(C)O)O2)O1
HBA: 15 RingCount: 3
HBD: 8 FractionCSP3: 0.77
AlogP: 8.34 Num_rotatable_bonds: 41
MolWt: 1039.42 Num_heavy_atoms: 72
TPSA: 253.27 NumAromaticRings: 0

Sugarmoiety
SD00070

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O