Glycoside
...
GD031595

Name:
None

Formula:
C58H100O21

Smiles:
CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](C)O[C@@H]3O[C@H]4[C@@H](O[C@@H](C)[C@@H](O)[C@H]4OC(C)=O)O[C@H](CCCCC)CCCCCCCCCC(=O)O[C@H]3[C@H]2O)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@H](OC(=O)CCCCCCC)[C@H](O)[C@H]1O

Aglycone:
CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(O1)OC(C)C(O)C2OC(C)=O.CCCCCCCC(=O)O.CCCCCCCC(=O)O

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

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 5 FractionCSP3: 0.93
AlogP: 6.8 Num_rotatable_bonds: 23
MolWt: 1133.42 Num_heavy_atoms: 79
TPSA: 280.19 NumAromaticRings: 0

Unique Aglycone
AD04095
Formula: C8H16O2

Smiles:
CCCCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.88
AlogP: 2.43 Num_rotatable_bonds: 6
MolWt: 144.21 Num_heavy_atoms: 10
TPSA: 37.3 NumAromaticRings: 0
AD12643
Formula: C30H52O11

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(O1)OC(C)C(O)C2OC(C)=O
HBA: 11 RingCount: 3
HBD: 3 FractionCSP3: 0.93
AlogP: 3.28 Num_rotatable_bonds: 5
MolWt: 588.74 Num_heavy_atoms: 41
TPSA: 150.21 NumAromaticRings: 0

Sugarmoiety
SD00127

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