Glycoside
...
GD134445

Name:
Stansin 2

Formula:
C55H94O24

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(CC3OC(C)C(OC(=O)C(C)C(C)O)C(O)C3O)C(C)OC(OC3C(OC(COC(=O)C(C)C(C)O)C(O)C3O)OC3C(O1)OC(O)C(O)C3O)C2OC(=O)CC(C)C

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

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

Other Identifiers

Properties
HBA: 24 RingCount: 5
HBD: 9 FractionCSP3: 0.93
AlogP: 1.71 Num_rotatable_bonds: 16
MolWt: 1139.33 Num_heavy_atoms: 79
TPSA: 351.88 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
AD54387
Formula: C44H76O18

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(C)C(C)OC(OC3C(OC(COC(=O)C(C)C(C)O)C(O)C3O)OC3C(O1)OC(O)C(O)C3O)C2OC(=O)CC(C)C
HBA: 18 RingCount: 4
HBD: 6 FractionCSP3: 0.93
AlogP: 2.9 Num_rotatable_bonds: 11
MolWt: 893.07 Num_heavy_atoms: 62
TPSA: 255.66 NumAromaticRings: 0

Sugarmoiety
SD00076

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