Glycoside
...
GD140953

Name:
8'-(acetyloxy)-7-hydroxy-6',8,10,14-tetramethyl-20-oxo-3'-(propan-2-yl)-17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexahydro-5-oxaspiro[pentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosane-6,2'-pyrano[2,3-b][1,4]dioxin]-7'-yl acetate

Formula:
C43H66O16

Smiles:
CC(=O)OC1C(C)OC2OC(C(C)C)C3(OC4CC5C6CC(=O)C7CC(OC8OC(CO)C(O)C(O)C8O)CCC7(C)C6CCC5(C)C4C(C)C3O)OC2C1OC(C)=O

Aglycone:
CC(=O)OC1C(C)OC2OC(C(C)C)C3(OC4CC5C6CC(=O)C7CC(O)CCC7(C)C6CCC5(C)C4C(C)C3O)OC2C1OC(C)=O

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 5 FractionCSP3: 0.93
AlogP: 1.76 Num_rotatable_bonds: 6
MolWt: 838.99 Num_heavy_atoms: 59
TPSA: 226.2 NumAromaticRings: 0

Unique Aglycone
AD56823
Formula: C37H56O11

Smiles:
CC(=O)OC1C(C)OC2OC(C(C)C)C3(OC4CC5C6CC(=O)C7CC(O)CCC7(C)C6CCC5(C)C4C(C)C3O)OC2C1OC(C)=O
HBA: 11 RingCount: 7
HBD: 2 FractionCSP3: 0.92
AlogP: 3.94 Num_rotatable_bonds: 3
MolWt: 676.84 Num_heavy_atoms: 48
TPSA: 147.05 NumAromaticRings: 0

Sugarmoiety
SD00003

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