Glycoside
...
GD140615

Name:
None

Formula:
C65H110O20S

Smiles:
C=CCCC1OC1CC(=C)CCC1OC1CCCCC=CCCC=CCC(C)C=CCC(C)CCCCCCC(=O)CCCC(CC(O)CC(=O)CC(O)CCC(O)C1CC(O)C(OS(=O)(=O)O)C(CC(C)O)O1)OC1OC(CO)C(O)C(O)C1O

Aglycone:
C=CCCC1OC1CC(=C)CCC1OC1CCCCC=CCCC=CCC(C)C=CCC(C)CCCCCCC(=O)CCCC(O)CC(O)CC(=O)CC(O)CCC(O)C1CC(O)C(OS(=O)(=O)O)C(CC(C)O)O1

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

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 10 FractionCSP3: 0.82
AlogP: 7.62 Num_rotatable_bonds: 49
MolWt: 1243.64 Num_heavy_atoms: 86
TPSA: 332.56 NumAromaticRings: 0

Unique Aglycone
AD54112
Formula: C59H100O15S

Smiles:
C=CCCC1OC1CC(=C)CCC1OC1CCCCC=CCCC=CCC(C)C=CCC(C)CCCCCCC(=O)CCCC(O)CC(O)CC(=O)CC(O)CCC(O)C1CC(O)C(OS(=O)(=O)O)C(CC(C)O)O1
HBA: 15 RingCount: 3
HBD: 7 FractionCSP3: 0.8
AlogP: 9.8 Num_rotatable_bonds: 46
MolWt: 1081.5 Num_heavy_atoms: 75
TPSA: 253.41 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O