Glycoside
...
GD150086

Name:
6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 12-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-1-(prop-1-en-2-yl)-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate

Formula:
C55H90O23

Smiles:
C=C(C)C1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CC(O)C4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C12C

Aglycone:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC(O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C12C

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 9
HBD: 14 FractionCSP3: 0.95
AlogP: -1.79 Num_rotatable_bonds: 12
MolWt: 1119.3 Num_heavy_atoms: 78
TPSA: 374.13 NumAromaticRings: 0

Unique Aglycone
AD57303
Formula: C31H50O4

Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC(O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C12C
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.45 Num_rotatable_bonds: 2
MolWt: 486.74 Num_heavy_atoms: 35
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD02165

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O