Glycoside
...
GD147923

Name:
10-[(4-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-5-yl acetate

Formula:
C61H100O29

Smiles:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(OC5OCC(OC6OC(CO)C(O)C(O)C6O)C(O)C5OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(OC3OC(CO)C(O)C(O)C3O)C12CO

Aglycone:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12CO

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(OC3C(O)OCC(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 10
HBD: 17 FractionCSP3: 0.95
AlogP: -4.59 Num_rotatable_bonds: 16
MolWt: 1297.44 Num_heavy_atoms: 90
TPSA: 462.51 NumAromaticRings: 0

Unique Aglycone
AD23537
Formula: C32H52O5

Smiles:
CC(=O)OC1CC2(C)C(=CCC3C4(C)CCC(O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12CO
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.91
AlogP: 5.65 Num_rotatable_bonds: 2
MolWt: 516.76 Num_heavy_atoms: 37
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD09499

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(OC3C(O)OCC(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C(O)C2O)C(O)C(O)C1O