Glycoside
...
GD143158

Name:
7-hydroxy-6-{[4-methoxy-5-({4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-8a-methyl-1-[3-(2-methylfuran-3-yl)-3-oxopropyl]-1,2,3,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid

Formula:
C47H72O20

Smiles:
COC1CC(OC2CC3=CCC(C(=O)O)C(CCC(=O)c4ccoc4C)C3(C)CC2O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1

Aglycone:
Cc1occc1C(=O)CCC1C(C(=O)O)CC=C2CC(O)C(O)CC21C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 6 FractionCSP3: 0.83
AlogP: 2.15 Num_rotatable_bonds: 17
MolWt: 957.07 Num_heavy_atoms: 67
TPSA: 270.19 NumAromaticRings: 1

Unique Aglycone
AD47794
Formula: C20H26O6

Smiles:
Cc1occc1C(=O)CCC1C(C(=O)O)CC=C2CC(O)C(O)CC21C
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.6
AlogP: 2.72 Num_rotatable_bonds: 5
MolWt: 362.42 Num_heavy_atoms: 26
TPSA: 107.97 NumAromaticRings: 1

Sugarmoiety
SD02036

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1