Glycoside
...
GD033971

Name:
None

Formula:
C62H108O25

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

Aglycone:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C2O.CCCCCCCC(=O)O.CCCCCCCC(=O)O

Sugarmoiety:
CC1OC(OC2C(C)OC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 6
HBD: 9 FractionCSP3: 0.95
AlogP: 4.06 Num_rotatable_bonds: 25
MolWt: 1253.52 Num_heavy_atoms: 87
TPSA: 353.27 NumAromaticRings: 0

Unique Aglycone
AD01626
Formula: C28H50O10

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C2O
HBA: 10 RingCount: 3
HBD: 4 FractionCSP3: 0.96
AlogP: 2.71 Num_rotatable_bonds: 4
MolWt: 546.7 Num_heavy_atoms: 38
TPSA: 144.14 NumAromaticRings: 0
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

Sugarmoiety
SD00747

CC1OC(OC2C(C)OC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O