Glycoside
...
GD150363

Name:
5-hydroxy-2-({2-hydroxy-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,6,6,9a,9b,11a-hexamethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl}oxy)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl acetate

Formula:
C50H84O19

Smiles:
CC(=O)OC1C(O)COC(OC2CCC3(C)C(C(OC4OC(CO)C(O)C(O)C4O)CC4C5(C)CC(O)C(C6(C)CCC(C(C)(C)O)O6)C5(C)CCC43C)C2(C)C)C1OC1OC(C)C(O)C(O)C1O

Aglycone:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC5(C)C4(C)CCC23C)O1

Sugarmoiety:
CC(=O)OC1C(O)COC(O)C1OC1OC(C)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 10 FractionCSP3: 0.98
AlogP: 0.78 Num_rotatable_bonds: 10
MolWt: 989.2 Num_heavy_atoms: 69
TPSA: 293.21 NumAromaticRings: 0

Unique Aglycone
AD45645
Formula: C31H54O5

Smiles:
CC(C)(O)C1CCC(C)(C2C(O)CC3(C)C4CC(O)C5C(C)(C)C(O)CCC5(C)C4(C)CCC23C)O1
HBA: 5 RingCount: 5
HBD: 4 FractionCSP3: 1.0
AlogP: 5.07 Num_rotatable_bonds: 2
MolWt: 506.77 Num_heavy_atoms: 36
TPSA: 90.15 NumAromaticRings: 0

Sugarmoiety
SD04944

CC(=O)OC1C(O)COC(O)C1OC1OC(C)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O