Glycoside
...
GD156948

Name:
Lemmonin A

Formula:
C23H32O9

Smiles:
C=C1C(=O)OC2CC(=C)C3CCC(C)(OC4OC(COC(C)=O)C(O)C(O)C4O)C3CC12

Aglycone:
C=C1C(=O)OC2CC(=C)C3CCC(C)(O)C3CC12.COC(C)=O

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

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 3 FractionCSP3: 0.74
AlogP: 0.61 Num_rotatable_bonds: 4
MolWt: 452.5 Num_heavy_atoms: 32
TPSA: 131.75 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD52412
Formula: C15H20O3

Smiles:
C=C1C(=O)OC2CC(=C)C3CCC(C)(O)C3CC12
HBA: 3 RingCount: 3
HBD: 1 FractionCSP3: 0.67
AlogP: 2.21 Num_rotatable_bonds: 0
MolWt: 248.32 Num_heavy_atoms: 18
TPSA: 46.53 NumAromaticRings: 0

Sugarmoiety
SD00017

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