Glycoside
...
GD007890

Name:
PHYSORDINOSE C

Formula:
C30H54O13

Smiles:
CCCCCCCCCCCC(=O)O[C@H]1[C@H](O[C@@]2(COC(C)=O)O[C@H](CO)[C@H](O)[C@H]2O)O[C@@H](CO)[C@@H](O)[C@H]1OCC(C)C

Aglycone:
CC(C)CO.CCCCCCCCCCCC(=O)O.COC(C)=O

Sugarmoiety:
OCC1OC(OC2(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 5 FractionCSP3: 0.93
AlogP: 1.33 Num_rotatable_bonds: 20
MolWt: 622.75 Num_heavy_atoms: 43
TPSA: 190.67 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
AD00188
Formula: C12H24O2

Smiles:
CCCCCCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.92
AlogP: 3.99 Num_rotatable_bonds: 10
MolWt: 200.32 Num_heavy_atoms: 14
TPSA: 37.3 NumAromaticRings: 0
AD06374
Formula: C4H10O

Smiles:
CC(C)CO
HBA: 1 RingCount: 0
HBD: 1 FractionCSP3: 1.0
AlogP: 0.63 Num_rotatable_bonds: 1
MolWt: 74.12 Num_heavy_atoms: 5
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD01299

OCC1OC(OC2(O)OC(CO)C(O)C2O)C(O)C(O)C1O