Glycoside
...
GD008272

Name:
Albinoside_V

Formula:
C54H90O25

Smiles:
CC=C(C)C(=O)O[C@@H]1[C@@H]2O[C@H](C)[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](OC(=O)CCCCCCCCC[C@H](CCC)O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O2)[C@H]4O)[C@H]3O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2OC(=O)[C@H](C)[C@H](C)O)[C@H]1O

Aglycone:
CC(O)C(C)C(=O)O.CC=C(C)C(=O)OC1C2OC(C)C(OC3OC(C)C(O)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: 25 RingCount: 7
HBD: 9 FractionCSP3: 0.91
AlogP: 0.57 Num_rotatable_bonds: 9
MolWt: 1139.29 Num_heavy_atoms: 79
TPSA: 353.27 NumAromaticRings: 0

Unique Aglycone
AD02264
Formula: C5H10O3

Smiles:
CC(O)C(C)C(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.8
AlogP: 0.09 Num_rotatable_bonds: 2
MolWt: 118.13 Num_heavy_atoms: 8
TPSA: 57.53 NumAromaticRings: 0
AD06623
Formula: C43H72O19

Smiles:
CC=C(C)C(=O)OC1C2OC(C)C(OC3OC(C)C(O)C(OC4OC(C)C(O)C(OC(=O)CCCCCCCCCC(CCC)OC5OC(C)C(O)C(O)C5O2)C4O)C3O)C1O
HBA: 19 RingCount: 6
HBD: 7 FractionCSP3: 0.91
AlogP: 1.15 Num_rotatable_bonds: 4
MolWt: 893.03 Num_heavy_atoms: 62
TPSA: 268.05 NumAromaticRings: 0

Sugarmoiety
SD00076

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