Glycoside
...
GD134069

Name:
3a,3b,11-trihydroxy-9a,11a-dimethyl-1-(2-oxo-2H-pyran-5-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-yl acetate

Formula:
C32H44O13

Smiles:
CC(=O)OC1CC2(O)C(CC(O)C3(C)C(c4ccc(=O)oc4)CCC23O)C2(C)CCC(OC3OC(CO)C(O)C(O)C3O)C=C12

Aglycone:
CC(=O)OC1CC2(O)C(CC(O)C3(C)C(c4ccc(=O)oc4)CCC23O)C2(C)CCC(O)C=C12

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

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 7 FractionCSP3: 0.75
AlogP: -0.39 Num_rotatable_bonds: 5
MolWt: 636.69 Num_heavy_atoms: 45
TPSA: 216.58 NumAromaticRings: 1

Unique Aglycone
AD54242
Formula: C26H34O8

Smiles:
CC(=O)OC1CC2(O)C(CC(O)C3(C)C(c4ccc(=O)oc4)CCC23O)C2(C)CCC(O)C=C12
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.69
AlogP: 1.79 Num_rotatable_bonds: 2
MolWt: 474.55 Num_heavy_atoms: 34
TPSA: 137.43 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O