Glycoside
...
GD140086

Name:
6-({[5-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 9-formyl-10,11-dihydroxy-2,6a,6b,9,12a-pentamethyl-1,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a-carboxylate

Formula:
C52H80O23

Smiles:
CC1=CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(OC6OCC(O)C(O)C6O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C=O)C5CCC43C)C2C1

Aglycone:
CC1=CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C=O)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 13 FractionCSP3: 0.88
AlogP: -2.69 Num_rotatable_bonds: 11
MolWt: 1073.19 Num_heavy_atoms: 75
TPSA: 370.97 NumAromaticRings: 0

Unique Aglycone
AD56480
Formula: C29H42O5

Smiles:
CC1=CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C=O)C5CCC43C)C2C1
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.79
AlogP: 4.91 Num_rotatable_bonds: 2
MolWt: 470.65 Num_heavy_atoms: 34
TPSA: 94.83 NumAromaticRings: 0

Sugarmoiety
SD05755

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O