Glycoside
...
GD008810

Name:
STANSIN 3

Formula:
C55H94O24

Smiles:
CCCCC[C@@H]1CCCCCCCCCC(=O)O[C@H]2[C@H](OC(=O)C(C)CC)[C@@H](O[C@@H]3[C@H](O[C@H](COC(=O)C(C)C(C)O)[C@H](O)[C@H]3O)O[C@H]3[C@@H](O[C@@H](C)[C@@H](O)[C@H]3O)O1)O[C@@H](C)[C@H]2O[C@@H]1O[C@H](C)[C@H](OC(=O)C(C)C(C)O)[C@H](O)[C@H]1O

Aglycone:
CC(O)C(C)C(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(OC(COC(=O)C(C)C(C)O)C(O)C3O)OC3C(O1)OC(C)C(O)C3O)C2OC(=O)C(C)CC

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

Other Identifiers

Properties
HBA: 24 RingCount: 5
HBD: 8 FractionCSP3: 0.93
AlogP: 2.12 Num_rotatable_bonds: 16
MolWt: 1139.33 Num_heavy_atoms: 79
TPSA: 340.88 NumAromaticRings: 0

Unique Aglycone
AD01646
Formula: C44H76O18

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(OC(COC(=O)C(C)C(C)O)C(O)C3O)OC3C(O1)OC(C)C(O)C3O)C2OC(=O)C(C)CC
HBA: 18 RingCount: 4
HBD: 6 FractionCSP3: 0.93
AlogP: 2.7 Num_rotatable_bonds: 11
MolWt: 893.07 Num_heavy_atoms: 62
TPSA: 255.66 NumAromaticRings: 0
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

Sugarmoiety
SD00076

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