Glycoside
...
GD028677

Name:
ARBORESIN 3

Formula:
C66H114O28

Smiles:
CCCCCCCCCCCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)O[C@@H]3O[C@H]4[C@H](OC(CCCCC)CCCCCCCCCC(=O)O[C@H]3[C@H]2O)O[C@@H](CO)[C@@H](O)[C@H]4O)O[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(=O)CC)[C@H](OC(=O)C(C)C(C)O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O

Aglycone:
CC(O)C(C)C(=O)O.CCC(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(O1)OC(CO)C(O)C2O.CCCCCCCCCCCC(=O)O

Sugarmoiety:
CC1OC(OC2C(C)OC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 6
HBD: 10 FractionCSP3: 0.94
AlogP: 3.21 Num_rotatable_bonds: 28
MolWt: 1355.61 Num_heavy_atoms: 94
TPSA: 399.8 NumAromaticRings: 0

Unique Aglycone
AD00155
Formula: C3H6O2

Smiles:
CCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: 0.48 Num_rotatable_bonds: 1
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 37.3 NumAromaticRings: 0
AD00188
Formula: C12H24O2

Smiles:
CCCCCCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.92
AlogP: 3.99 Num_rotatable_bonds: 10
MolWt: 200.32 Num_heavy_atoms: 14
TPSA: 37.3 NumAromaticRings: 0
AD01121
Formula: C28H50O11

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(O1)OC(CO)C(O)C2O
HBA: 11 RingCount: 3
HBD: 5 FractionCSP3: 0.96
AlogP: 1.68 Num_rotatable_bonds: 5
MolWt: 562.7 Num_heavy_atoms: 39
TPSA: 164.37 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
SD00298

CC1OC(OC2C(C)OC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O