Glycoside
...
GD147950

Name:
2-{4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-ethyl-2-methoxy-6-methyloxan-2-yl}-3-hydroxy-4,6-dimethyl-11-oxoundecan-5-yl 10-{4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-ethyl-2-methoxy-6-methyloxan-2-yl}-9-hydroxy-7-methoxy-6,8-dimethylundeca-2,4-dienoate

Formula:
C57H100O18

Smiles:
CCC1C(C)OC(OC)(C(C)C(O)C(C)C(OC)C(C)C=CC=CC(=O)OC(C(C)CCCCC=O)C(C)C(O)C(C)C2(OC)CC(OC3CC(O)C(O)C(C)O3)C(CC)C(C)O2)CC1OC1CC(O)C(O)C(C)O1

Aglycone:
CCC1C(O)CC(OC)(C(C)C(O)C(C)C(OC)C(C)C=CC=CC(=O)OC(C(C)CCCCC=O)C(C)C(O)C(C)C2(OC)CC(O)C(CC)C(C)O2)OC1C

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

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 6 FractionCSP3: 0.89
AlogP: 6.16 Num_rotatable_bonds: 28
MolWt: 1073.41 Num_heavy_atoms: 75
TPSA: 247.82 NumAromaticRings: 0

Unique Aglycone
AD59224
Formula: C45H80O12

Smiles:
CCC1C(O)CC(OC)(C(C)C(O)C(C)C(OC)C(C)C=CC=CC(=O)OC(C(C)CCCCC=O)C(C)C(O)C(C)C2(OC)CC(O)C(CC)C(C)O2)OC1C
HBA: 12 RingCount: 2
HBD: 4 FractionCSP3: 0.87
AlogP: 6.4 Num_rotatable_bonds: 24
MolWt: 813.12 Num_heavy_atoms: 57
TPSA: 170.44 NumAromaticRings: 0

Sugarmoiety
SD00486

CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1O