Glycoside
...
GD032987

Name:
ALBINOSIDE II

Formula:
C54H88O24

Smiles:
CC=C(C)C(=O)O[C@H]1[C@H](C)O[C@H]2O[C@@H]3[C@H](O)[C@@H](OC(=O)C(C)=CC)[C@@H](O[C@@H]3C)O[C@@H]3[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]3O[C@@H](CCC)CCCCCCCCCC(=O)O[C@H]3[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]1[C@@H]2O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)[C@@H]3O

Aglycone:
CC=C(C)C(=O)OC1C2OC(C)C(OC3OC(C)C(OC(=O)C(C)=CC)C(OC4OC(C)C(O)C(OC(=O)CCCCCCCCCC(CCC)OC5OC(C)C(O)C(O)C5O2)C4O)C3O)C1O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 7
HBD: 8 FractionCSP3: 0.87
AlogP: 1.52 Num_rotatable_bonds: 8
MolWt: 1121.27 Num_heavy_atoms: 78
TPSA: 333.04 NumAromaticRings: 0

Unique Aglycone
AD21090
Formula: C48H78O20

Smiles:
CC=C(C)C(=O)OC1C2OC(C)C(OC3OC(C)C(OC(=O)C(C)=CC)C(OC4OC(C)C(O)C(OC(=O)CCCCCCCCCC(CCC)OC5OC(C)C(O)C(O)C5O2)C4O)C3O)C1O
HBA: 20 RingCount: 6
HBD: 6 FractionCSP3: 0.85
AlogP: 2.66 Num_rotatable_bonds: 6
MolWt: 975.13 Num_heavy_atoms: 68
TPSA: 274.12 NumAromaticRings: 0

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O