Glycoside
...
GD004052

Name:
Albinoside_Iv

Formula:
C49H82O24

Smiles:
CC=C(C)C(=O)O[C@@H]1[C@H](O[C@@H]2[C@@H]3O[C@H](CO[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4OC(=O)CCCCCCCCC[C@H](CCC)O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O3)[C@H](O)[C@H]2O)O[C@H](C)[C@H](O)[C@H]1O

Aglycone:
CC=C(C)C(=O)O.CCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(OCC3OC(OC4C(O1)OC(C)C(O)C4O)C(O)C(O)C3O)OC(C)C(O)C2O

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

Other Identifiers

Properties
HBA: 24 RingCount: 6
HBD: 10 FractionCSP3: 0.92
AlogP: -1.03 Num_rotatable_bonds: 6
MolWt: 1055.17 Num_heavy_atoms: 73
TPSA: 347.2 NumAromaticRings: 0

Unique Aglycone
AD00342
Formula: C5H8O2

Smiles:
CC=C(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.4
AlogP: 1.04 Num_rotatable_bonds: 1
MolWt: 100.12 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD03590
Formula: C38H66O19

Smiles:
CCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(OCC3OC(OC4C(O1)OC(C)C(O)C4O)C(O)C(O)C3O)OC(C)C(O)C2O
HBA: 19 RingCount: 5
HBD: 9 FractionCSP3: 0.97
AlogP: -1.4 Num_rotatable_bonds: 2
MolWt: 826.93 Num_heavy_atoms: 57
TPSA: 282.21 NumAromaticRings: 0

Sugarmoiety
SD00076

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