Glycoside
...
GD118543

Name:
None

Formula:
C68H124O27S

Smiles:
C=CC=CCCCCCCCCCC=CC(O)C(O)C1OC(C(O)C(O)C(=C)CCC(O)C2OC(CC(O)C(O)C(C)CCCC(O)C(O)C(O)C(C)CCC(O)C(O)C(C)CC(O)CCCC(CCCC(O)C=CCC(O)CO)OS(=O)(=O)O)C(O)C(O)C2O)CC(O)C1O

Aglycone:
C=CC=CCCCCCCCCCC=CC(O)C(O)C1OC(C(O)C(O)C(=C)CCCO)CC(O)C1O.CC(O)C(O)C(C)CCCC(O)C(O)C(O)C(C)CCC(O)C(O)C(C)CC(O)CCCC(CCCC(O)C=CCC(O)CO)OS(=O)(=O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 2
HBD: 22 FractionCSP3: 0.85
AlogP: 0.38 Num_rotatable_bonds: 53
MolWt: 1405.78 Num_heavy_atoms: 96
TPSA: 506.89 NumAromaticRings: 0

Unique Aglycone
AD07390
Formula: C29H50O8

Smiles:
C=CC=CCCCCCCCCCC=CC(O)C(O)C1OC(C(O)C(O)C(=C)CCCO)CC(O)C1O
HBA: 8 RingCount: 1
HBD: 7 FractionCSP3: 0.72
AlogP: 2.45 Num_rotatable_bonds: 20
MolWt: 526.71 Num_heavy_atoms: 37
TPSA: 150.84 NumAromaticRings: 0
AD21493
Formula: C34H68O15S

Smiles:
CC(O)C(O)C(C)CCCC(O)C(O)C(O)C(C)CCC(O)C(O)C(C)CC(O)CCCC(CCCC(O)C=CCC(O)CO)OS(=O)(=O)O
HBA: 15 RingCount: 0
HBD: 12 FractionCSP3: 0.94
AlogP: 0.33 Num_rotatable_bonds: 30
MolWt: 748.97 Num_heavy_atoms: 50
TPSA: 286.13 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O