Glycoside
...
GD015268

Name:
LINGSHUIOL

Formula:
C69H122O25

Smiles:
C=CCCCCCCCCCCC=CC(O)C(O)C1OC(C(O)C(O)C(=C)CCC(O)C2CC(O)C(O)C(C(O)C(O)C=C(C)CC(O)CC(O)C(O)C(O)C(O)C(O)C(C)CC(O)C(O)CC(C)C=CCCC(O)CC(=O)C=CCCCCC(O)CO)O2)CC(O)C1O

Aglycone:
C=CCCCCCCCCCCC=CC(O)C(O)C1OC(C(O)C(O)C(=C)CCC(O)C2CC(O)C(O)C(C(O)C(O)C=C(C)CC(C)O)O2)CC(O)C1O.CCCC(O)C(O)CC(C)C=CCCC(O)CC(=O)C=CCCCCC(O)CO

Sugarmoiety:
OC(O)C(O)C(O)C(O)C(O)O

Other Identifiers

Properties
HBA: 25 RingCount: 2
HBD: 22 FractionCSP3: 0.81
AlogP: 0.04 Num_rotatable_bonds: 51
MolWt: 1351.71 Num_heavy_atoms: 94
TPSA: 480.59 NumAromaticRings: 0

Unique Aglycone
AD11117
Formula: C41H72O14

Smiles:
C=CCCCCCCCCCCC=CC(O)C(O)C1OC(C(O)C(O)C(=C)CCC(O)C2CC(O)C(O)C(C(O)C(O)C=C(C)CC(C)O)O2)CC(O)C1O
HBA: 14 RingCount: 2
HBD: 12 FractionCSP3: 0.8
AlogP: 0.97 Num_rotatable_bonds: 26
MolWt: 789.01 Num_heavy_atoms: 55
TPSA: 261.22 NumAromaticRings: 0
AD11118
Formula: C23H42O6

Smiles:
CCCC(O)C(O)CC(C)C=CCCC(O)CC(=O)C=CCCCCC(O)CO
HBA: 6 RingCount: 0
HBD: 5 FractionCSP3: 0.78
AlogP: 2.66 Num_rotatable_bonds: 18
MolWt: 414.58 Num_heavy_atoms: 29
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD01983

OC(O)C(O)C(O)C(O)C(O)O