Glycoside
...
GD011986

Name:
MURUCIN 1

Formula:
C60H104O25

Smiles:
CCCCCCCCCCCC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H](C)OC3O[C@H]4[C@H](OC(CCCCC)CCCCCCCCCC(=O)O[C@H]3[C@H]2O)O[C@@H](C)[C@@H](O)[C@H]4O)O[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O

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

Sugarmoiety:
CC(=O)OC1C(C)OC(OC2C(C)OC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 6
HBD: 9 FractionCSP3: 0.95
AlogP: 3.28 Num_rotatable_bonds: 23
MolWt: 1225.47 Num_heavy_atoms: 85
TPSA: 353.27 NumAromaticRings: 0

Unique Aglycone
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
AD01035
Formula: C28H50O10

Smiles:
CCCCCC1CCCCCCCCCC(=O)OC2C(OC(C)C(O)C2O)OC2C(O1)OC(C)C(O)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

Sugarmoiety
SD01710

CC(=O)OC1C(C)OC(OC2C(C)OC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O