Glycoside
...
GD122584

Name:
4-methoxy-2-[(4-methoxy-2-methyl-6-{[1,8,10-tris(acetyloxy)-7-(2-methoxy-2-methyl-5-oxo-2,5-dihydrofuran-3-yl)-4a,7-dimethyl-1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-2-yl]oxy}oxan-3-yl)oxy]-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl acetate

Formula:
C50H74O23

Smiles:
COC1CC(OC2=CCC3(C)C4CCC(C)(C5=CC(=O)OC5(C)OC)C(OC(C)=O)C4CC(OC(C)=O)C3C2OC(C)=O)OC(C)C1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(OC)C1OC(C)=O

Aglycone:
COC1(C)OC(=O)C=C1C1(C)CCC2C(CC(OC(C)=O)C3C(OC(C)=O)C(O)=CCC23C)C1OC(C)=O

Sugarmoiety:
COC1CC(O)OC(C)C1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(OC)C1OC(C)=O

Other Identifiers

Properties
HBA: 23 RingCount: 7
HBD: 4 FractionCSP3: 0.82
AlogP: 1.4 Num_rotatable_bonds: 15
MolWt: 1043.12 Num_heavy_atoms: 73
TPSA: 295.49 NumAromaticRings: 0

Unique Aglycone
AD49409
Formula: C28H38O10

Smiles:
COC1(C)OC(=O)C=C1C1(C)CCC2C(CC(OC(C)=O)C3C(OC(C)=O)C(O)=CCC23C)C1OC(C)=O
HBA: 10 RingCount: 4
HBD: 1 FractionCSP3: 0.71
AlogP: 3.53 Num_rotatable_bonds: 5
MolWt: 534.6 Num_heavy_atoms: 38
TPSA: 134.66 NumAromaticRings: 0

Sugarmoiety
SD06008

COC1CC(O)OC(C)C1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(OC)C1OC(C)=O