Glycoside
...
GD023691

Name:
MURUCOIDIN X

Formula:
C63H110O25

Smiles:
CCCCC[C@@H]1CCCCCCCCCC(=O)O[C@H]2[C@H](O)[C@H](O[C@@H](C)[C@H]2O[C@@H]2O[C@H](C)[C@H](O[C@@H]3O[C@H](C)[C@H](OC(=O)[C@H](C)CC)[C@H](O)[C@H]3O)[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)CCCCCC[C@H](O)CCCC)O[C@H]2[C@@H](O[C@@H](C)[C@@H](O)[C@H]2O)O1

Aglycone:
CCC(C)C(=O)O.CCCCC(O)CCCCCCC(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(C)OC(OC3C(O1)OC(C)C(O)C3O)C2O

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

Other Identifiers

Properties
HBA: 25 RingCount: 6
HBD: 9 FractionCSP3: 0.95
AlogP: 4.3 Num_rotatable_bonds: 24
MolWt: 1267.55 Num_heavy_atoms: 88
TPSA: 353.27 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
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
AD15911
Formula: C12H24O3

Smiles:
CCCCC(O)CCCCCCC(=O)O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.92
AlogP: 2.96 Num_rotatable_bonds: 10
MolWt: 216.32 Num_heavy_atoms: 15
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00140

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