Glycoside
...
GD139806

Name:
1-[3a-hydroxy-7-({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)-9a,11a-dimethyl-11-(2-oxo-2-phenylethyl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethyl acetate

Formula:
C51H76O16

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3CC(CC(=O)c3ccccc3)C3(C)C(C(C)OC(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1

Aglycone:
CC(=O)OC(C)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(CC(=O)c3ccccc3)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 5 FractionCSP3: 0.8
AlogP: 4.39 Num_rotatable_bonds: 14
MolWt: 945.15 Num_heavy_atoms: 67
TPSA: 218.36 NumAromaticRings: 1

Unique Aglycone
AD45028
Formula: C31H42O5

Smiles:
CC(=O)OC(C)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CC(CC(=O)c3ccccc3)C12C
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.68
AlogP: 5.49 Num_rotatable_bonds: 5
MolWt: 494.67 Num_heavy_atoms: 36
TPSA: 83.83 NumAromaticRings: 1

Sugarmoiety
SD04683

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(CO)C(O)C(O)C2O)C(C)O1