Glycoside
...
GD108871

Name:
Peruviose A

Formula:
C34H58O15

Smiles:
CCCCCCCCCC(=O)O[C@@H]1[C@@H](O[C@]2(CO)O[C@H](CO)[C@H](O)[C@@H]2OC(=O)C(C)C)O[C@@H](CO)[C@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C

Aglycone:
CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CCCCCCCCCC(=O)O

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

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 4 FractionCSP3: 0.88
AlogP: 1.92 Num_rotatable_bonds: 20
MolWt: 706.82 Num_heavy_atoms: 49
TPSA: 213.81 NumAromaticRings: 0

Unique Aglycone
AD00350
Formula: C4H8O2

Smiles:
CC(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.73 Num_rotatable_bonds: 1
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD01332
Formula: C10H20O2

Smiles:
CCCCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.9
AlogP: 3.21 Num_rotatable_bonds: 8
MolWt: 172.27 Num_heavy_atoms: 12
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD01148

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