Glycoside
...
GD126257

Name:
{6-[(8-{9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,4H,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-5-methyl-3-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl)methoxy]-3,4,5-tris(acetyloxy)oxan-2-yl}methyl acetate

Formula:
C42H56O14

Smiles:
CC(=O)OCC1OC(OCC2C(=O)OC3CC2(C)OCC3C2CCC3C4CC=C5CC=CC(=O)C5(C)C4CCC23C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC12CC(OC(=O)C1CO)C(C1CCC3C4CC=C5CC=CC(=O)C5(C)C4CCC13C)CO2.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 7
HBD: 0 FractionCSP3: 0.76
AlogP: 4.35 Num_rotatable_bonds: 9
MolWt: 784.9 Num_heavy_atoms: 56
TPSA: 176.26 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD48929
Formula: C28H38O5

Smiles:
CC12CC(OC(=O)C1CO)C(C1CCC3C4CC=C5CC=CC(=O)C5(C)C4CCC13C)CO2
HBA: 5 RingCount: 6
HBD: 1 FractionCSP3: 0.79
AlogP: 4.24 Num_rotatable_bonds: 2
MolWt: 454.61 Num_heavy_atoms: 33
TPSA: 72.83 NumAromaticRings: 0

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O