Glycoside
...
GD133625

Name:
ethyl 9-({6-[(acetyloxy)methyl]-3-acetamido-4-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-5-{[3,4,5-tris(benzyloxy)-6-methyloxan-2-yl]oxy}oxan-2-yl}oxy)nonanoate

Formula:
C62H83O22N

Smiles:
CCOC(=O)CCCCCCCCOC1OC(COC(C)=O)C(OC2OC(C)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1N=C(C)O

Aglycone:
CCOC(=O)CCCCCCCCO.COC(C)=O.COC(C)=O.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:
CC(=O)OC1C(O)OC(OC2C(N=C(C)O)C(O)OC(O)C2OC2OC(C)C(O)C(O)C2O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 23 RingCount: 6
HBD: 1 FractionCSP3: 0.6
AlogP: 7.28 Num_rotatable_bonds: 32
MolWt: 1194.33 Num_heavy_atoms: 85
TPSA: 273.46 NumAromaticRings: 3

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
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD54074
Formula: C11H22O3

Smiles:
CCOC(=O)CCCCCCCCO
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.91
AlogP: 2.27 Num_rotatable_bonds: 9
MolWt: 202.29 Num_heavy_atoms: 14
TPSA: 46.53 NumAromaticRings: 0

Sugarmoiety
SD07680

CC(=O)OC1C(O)OC(OC2C(N=C(C)O)C(O)OC(O)C2OC2OC(C)C(O)C(O)C2O)C(OC(C)=O)C1OC(C)=O