Glycoside
...
GD033048

Name:
MURUCOIDIN XVI

Formula:
C50H86O20

Smiles:
CCCCC[C@@H]1CCCCCCCCCC(=O)O[C@@H]2[C@H](O[C@H](C)[C@H](O[C@@H]3O[C@H](C)[C@H](O[C@@H]4O[C@H](C)[C@H](OC(=O)[C@H](C)CC)[C@H](O)[C@H]4O)[C@H](OC(=O)[C@H](C)CC)[C@H]3O)[C@H]2O)O[C@H]2[C@@H](O[C@@H](C)[C@@H](O)[C@H]2O)O1

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

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

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 6 FractionCSP3: 0.94
AlogP: 3.6 Num_rotatable_bonds: 14
MolWt: 1007.22 Num_heavy_atoms: 70
TPSA: 274.12 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
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
SD00127

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