Glycoside
...
GD143036

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)-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylate

Formula:
C49H80O19

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)CCCC(C)(CO)C5CCC43C)C12

Aglycone:
C=C(CC)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCCC(C)(CO)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: 19 RingCount: 8
HBD: 12 FractionCSP3: 0.94
AlogP: 0.06 Num_rotatable_bonds: 11
MolWt: 973.16 Num_heavy_atoms: 68
TPSA: 315.21 NumAromaticRings: 0

Unique Aglycone
AD57542
Formula: C31H50O3

Smiles:
C=C(CC)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCCC(C)(CO)C5CCC43C)C12
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.48 Num_rotatable_bonds: 4
MolWt: 470.74 Num_heavy_atoms: 34
TPSA: 57.53 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