Glycoside
...
GD126684

Name:
21-[(3-{[5-(acetyloxy)-3-{[5-(acetyloxy)-6-[(acetyloxy)methyl]-3,4-dihydroxyoxan-2-yl]oxy}-4-hydroxyoxan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-2,16,17-trihydroxyhexacosanoic acid

Formula:
C48H84O22

Smiles:
CCCCCC(CCCC(O)C(O)CCCCCCCCCCCCCC(O)C(=O)O)OC1OCC(O)C(O)C1OC1OCC(OC(C)=O)C(O)C1OC1OC(COC(C)=O)C(OC(C)=O)C(O)C1O

Aglycone:
CCCCCC(O)CCCC(O)C(O)CCCCCCCCCCCCCC(O)C(=O)O.COC(C)=O

Sugarmoiety:
CC(=O)OCC1OC(OC2C(O)OCOC2OC2C(O)OCC(O)C2O)C(O)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 22 RingCount: 3
HBD: 9 FractionCSP3: 0.92
AlogP: 1.8 Num_rotatable_bonds: 34
MolWt: 1013.18 Num_heavy_atoms: 70
TPSA: 333.42 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD49916
Formula: C26H52O6

Smiles:
CCCCCC(O)CCCC(O)C(O)CCCCCCCCCCCCCC(O)C(=O)O
HBA: 6 RingCount: 0
HBD: 5 FractionCSP3: 0.96
AlogP: 5.34 Num_rotatable_bonds: 24
MolWt: 460.7 Num_heavy_atoms: 32
TPSA: 118.22 NumAromaticRings: 0

Sugarmoiety
SD06670

CC(=O)OCC1OC(OC2C(O)OCOC2OC2C(O)OCC(O)C2O)C(O)C(O)C1OC(C)=O