Glycoside
...
GD139499

Name:
2-{4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-ethyl-2-hydroxy-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:
C56H98O18

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

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

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

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 7 FractionCSP3: 0.89
AlogP: 5.51 Num_rotatable_bonds: 27
MolWt: 1059.38 Num_heavy_atoms: 74
TPSA: 258.82 NumAromaticRings: 0

Unique Aglycone
AD56250
Formula: C44H78O12

Smiles:
CCC1C(O)CC(O)(C(C)C(O)C(C)C(OC(=O)C=CC=CC(C)C(OC)C(C)C(O)C(C)C2(OC)CC(O)C(CC)C(C)O2)C(C)CCCCC=O)OC1C
HBA: 12 RingCount: 2
HBD: 5 FractionCSP3: 0.86
AlogP: 5.75 Num_rotatable_bonds: 23
MolWt: 799.1 Num_heavy_atoms: 56
TPSA: 181.44 NumAromaticRings: 0

Sugarmoiety
SD00486

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