Glycoside
...
GD139512

Name:
6-{[4-(dimethylamino)-5-hydroxy-6-{[13-hydroxy-8-methoxy-3,12-dimethyl-5-oxo-10-(2-oxoethyl)-7-(propanoyloxy)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy}-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl butanoate

Formula:
C42H69O16N

Smiles:
CCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(CC=O)CC(C)C(O)C=CC4OC4CC(C)OC(=O)CC(OC(=O)CC)C3OC)C(O)C2N(C)C)CC1(C)O

Aglycone:
CCC(=O)OC1CC(=O)OC(C)CC2OC2C=CC(O)C(C)CC(CC=O)C(O)C1OC.CCCC(=O)O

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 3 FractionCSP3: 0.86
AlogP: 2.37 Num_rotatable_bonds: 13
MolWt: 844.0 Num_heavy_atoms: 59
TPSA: 218.58 NumAromaticRings: 0

Unique Aglycone
AD00922
Formula: C4H8O2

Smiles:
CCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.87 Num_rotatable_bonds: 2
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD02311
Formula: C23H36O9

Smiles:
CCC(=O)OC1CC(=O)OC(C)CC2OC2C=CC(O)C(C)CC(CC=O)C(O)C1OC
HBA: 9 RingCount: 2
HBD: 2 FractionCSP3: 0.78
AlogP: 1.33 Num_rotatable_bonds: 5
MolWt: 456.53 Num_heavy_atoms: 32
TPSA: 131.89 NumAromaticRings: 0

Sugarmoiety
SD00067

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1