Glycoside
...
GD122849

Name:
4-(6-hydroxy-7-{[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}-2,4b-dimethyl-1-oxo-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-2-yl)-5-methoxy-5-methyl-2,5-dihydrofuran-2-one

Formula:
C49H76O20

Smiles:
COC1CC(OC2CC3=CCC4C(=O)C(C)(C5=CC(=O)OC5(C)OC)CCC4C3(C)CC2O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1

Aglycone:
COC1(C)OC(=O)C=C1C1(C)CCC2C(CC=C3CC(O)C(O)CC32C)C1=O

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: 8
HBD: 5 FractionCSP3: 0.88
AlogP: 1.72 Num_rotatable_bonds: 14
MolWt: 985.13 Num_heavy_atoms: 69
TPSA: 255.28 NumAromaticRings: 0

Unique Aglycone
AD49546
Formula: C22H30O6

Smiles:
COC1(C)OC(=O)C=C1C1(C)CCC2C(CC=C3CC(O)C(O)CC32C)C1=O
HBA: 6 RingCount: 4
HBD: 2 FractionCSP3: 0.73
AlogP: 2.29 Num_rotatable_bonds: 2
MolWt: 390.48 Num_heavy_atoms: 28
TPSA: 93.06 NumAromaticRings: 0

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