Glycoside
...
GD149647

Name:
8,10-bis(acetyloxy)-2-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-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-1-yl acetate

Formula:
C48H72O22

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)C1O

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)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 7
HBD: 5 FractionCSP3: 0.83
AlogP: 0.83 Num_rotatable_bonds: 14
MolWt: 1001.08 Num_heavy_atoms: 70
TPSA: 289.42 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
SD02429

COC1CC(O)OC(C)C1OC1OC(C)C(OC2OC(CO)C(O)C(O)C2O)C(OC)C1O