Glycoside
...
GD001542

Name:
ORIZABIN XIX

Formula:
C55H94O23

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

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

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

Other Identifiers

Properties
HBA: 23 RingCount: 5
HBD: 7 FractionCSP3: 0.93
AlogP: 3.14 Num_rotatable_bonds: 16
MolWt: 1123.33 Num_heavy_atoms: 78
TPSA: 320.65 NumAromaticRings: 0

Unique Aglycone
AD00363
Formula: C5H10O2

Smiles:
CCC(C)C(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.8
AlogP: 1.12 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 37.3 NumAromaticRings: 0
AD01537
Formula: C44H76O18

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

Sugarmoiety
SD00076

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