Glycoside
...
GD115268

Name:
7-{[6-({[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1-{4-hydroxy-4,5-dimethyl-3-oxo-2-oxabicyclo[3.2.1]octan-7-yl}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9-yl acetate

Formula:
C48H74O21

Smiles:
CC(=O)OC1CC(OC2OC(COC3OC(CO)C(O)C(O)C3OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)CC2=CCC3C4CCC(C5CC6(C)CC5OC(=O)C6(C)O)C4(C)CCC3C21C

Aglycone:
CC(=O)OC1CC(O)CC2=CCC3C4CCC(C5CC6(C)CC5OC(=O)C6(C)O)C4(C)CCC3C21C

Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(OCC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 9
HBD: 11 FractionCSP3: 0.92
AlogP: -1.97 Num_rotatable_bonds: 11
MolWt: 987.1 Num_heavy_atoms: 69
TPSA: 330.51 NumAromaticRings: 0

Unique Aglycone
AD45561
Formula: C30H44O6

Smiles:
CC(=O)OC1CC(O)CC2=CCC3C4CCC(C5CC6(C)CC5OC(=O)C6(C)O)C4(C)CCC3C21C
HBA: 6 RingCount: 6
HBD: 2 FractionCSP3: 0.87
AlogP: 4.56 Num_rotatable_bonds: 2
MolWt: 500.68 Num_heavy_atoms: 36
TPSA: 93.06 NumAromaticRings: 0

Sugarmoiety
SD04583

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(OCC2OC(O)C(O)C(O)C2O)C(O)C1O