Glycoside
...
GD151252

Name:
9a,11a-dimethyl-1-{5-[3-methyl-2-(propan-2-yl)oxiran-2-yl]-2-oxooxolan-3-yl}-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-2-yl acetate

Formula:
C37H54O11

Smiles:
CC(=O)OC1CC2C3=CCC4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3=CCC2(C)C1C1CC(C2(C(C)C)OC2C)OC1=O

Aglycone:
CC(=O)OC1CC2C3=CCC4CC(O)CCC4(C)C3=CCC2(C)C1C1CC(C2(C(C)C)OC2C)OC1=O

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

Other Identifiers

Properties
HBA: 11 RingCount: 7
HBD: 4 FractionCSP3: 0.84
AlogP: 2.96 Num_rotatable_bonds: 7
MolWt: 674.83 Num_heavy_atoms: 48
TPSA: 164.51 NumAromaticRings: 0

Unique Aglycone
AD60341
Formula: C31H44O6

Smiles:
CC(=O)OC1CC2C3=CCC4CC(O)CCC4(C)C3=CCC2(C)C1C1CC(C2(C(C)C)OC2C)OC1=O
HBA: 6 RingCount: 6
HBD: 1 FractionCSP3: 0.81
AlogP: 5.13 Num_rotatable_bonds: 4
MolWt: 512.69 Num_heavy_atoms: 37
TPSA: 85.36 NumAromaticRings: 0

Sugarmoiety
SD00003

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