Glycoside
...
GD120985

Name:
6-({4-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-3-(dimethylamino)-2-hydroxy-5-methylcyclohexyl}oxy)-10-{[4-(dimethylamino)-6-methyloxan-2-yl]oxy}-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl acetate

Formula:
C46H78O14N2

Smiles:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC2CC(N(C)C)CC(C)O2)C(C)CC(CC=O)C1OC1CC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1O

Aglycone:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC2CC(N(C)C)CC(C)O2)C(C)CC(CC=O)C1OC1CC(C)C(O)C(N(C)C)C1O

Sugarmoiety:
CC1OC(O)CC(C)(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 3 FractionCSP3: 0.85
AlogP: 3.56 Num_rotatable_bonds: 12
MolWt: 883.13 Num_heavy_atoms: 62
TPSA: 192.22 NumAromaticRings: 0

Unique Aglycone
AD48657
Formula: C39H66O11N2

Smiles:
COC1C(OC(C)=O)CC(=O)OC(C)CC=CC=CC(OC2CC(N(C)C)CC(C)O2)C(C)CC(CC=O)C1OC1CC(C)C(O)C(N(C)C)C1O
HBA: 13 RingCount: 3
HBD: 2 FractionCSP3: 0.82
AlogP: 3.29 Num_rotatable_bonds: 10
MolWt: 738.96 Num_heavy_atoms: 52
TPSA: 153.53 NumAromaticRings: 0

Sugarmoiety
SD00693

CC1OC(O)CC(C)(O)C1O