Glycoside
...
GD114879

Name:
6-{[4-(dimethylamino)-6-[(16-ethyl-4-hydroxy-15-{[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]methyl}-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl)oxy]-5-hydroxy-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl acetate

Formula:
C48H79O18N

Smiles:
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(OC(C)=O)C(C)O3)C(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1COC1OC(C)C(O)C(OC)C1OC

Aglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CO

Sugarmoiety:
CC(=O)OC1C(C)OC(OC2C(C)OC(O)C(O)C2N(C)C)CC1(C)O.COC1C(O)OC(C)C(O)C1OC

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 4 FractionCSP3: 0.83
AlogP: 2.4 Num_rotatable_bonds: 14
MolWt: 958.15 Num_heavy_atoms: 67
TPSA: 244.74 NumAromaticRings: 0

Unique Aglycone
AD01623
Formula: C23H36O7

Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CO
HBA: 7 RingCount: 1
HBD: 3 FractionCSP3: 0.7
AlogP: 1.98 Num_rotatable_bonds: 4
MolWt: 424.53 Num_heavy_atoms: 30
TPSA: 121.13 NumAromaticRings: 0

Sugarmoiety
SD04484

CC(=O)OC1C(C)OC(OC2C(C)OC(O)C(O)C2N(C)C)CC1(C)O.COC1C(O)OC(C)C(O)C1OC