Glycoside
...
GD114391

Name:
1-(3a-hydroxy-7-{[5-({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)-4-methoxy-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:
C58H88O20

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(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)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(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 6 FractionCSP3: 0.83
AlogP: 3.89 Num_rotatable_bonds: 17
MolWt: 1105.32 Num_heavy_atoms: 78
TPSA: 266.28 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
SD02085

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1