Glycoside
...
GD128083

Name:
2,3,4,5-tetrahydroxy-6-({[2,3,4-trihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)oxan-2-yl 1-(but-1-en-2-yl)-9-hydroperoxy-5a,5b,8,8,11a-pentamethyl-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate

Formula:
C49H80O20

Smiles:
C=C(CC)C1CCC2(C(=O)OC3(O)OC(COC4(O)OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(OO)C(C)(C)C5CCC43C)C12

Aglycone:
C=C(CC)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OO)C(C)(C)C5CCC43C)C12

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

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 12 FractionCSP3: 0.94
AlogP: 0.55 Num_rotatable_bonds: 11
MolWt: 989.16 Num_heavy_atoms: 69
TPSA: 324.44 NumAromaticRings: 0

Unique Aglycone
AD51886
Formula: C31H50O4

Smiles:
C=C(CC)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OO)C(C)(C)C5CCC43C)C12
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.98 Num_rotatable_bonds: 4
MolWt: 486.74 Num_heavy_atoms: 35
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD06877

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