Glycoside
...
GD117857

Name:
5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-9-{[3,4,5-trihydroxy-2,3,4,5,6-pentamethyl-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)-2,3,4,5,6-pentamethyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid

Formula:
C52H88O13

Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC6(C)OC(C)(COC7(C)OC(C)(CO)C(C)(O)C(C)(O)C7(C)O)C(C)(O)C(C)(O)C6(C)O)C(C)(C)C5CCC43C)C12

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

Sugarmoiety:
CC1(O)OC(C)(COC2(C)OC(C)(CO)C(C)(O)C(C)(O)C2(C)O)C(C)(O)C(C)(O)C1(C)O

Other Identifiers

Properties
HBA: 13 RingCount: 7
HBD: 8 FractionCSP3: 0.94
AlogP: 6.64 Num_rotatable_bonds: 8
MolWt: 921.26 Num_heavy_atoms: 65
TPSA: 215.83 NumAromaticRings: 0

Unique Aglycone
AD00328
Formula: C30H48O3

Smiles:
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.09 Num_rotatable_bonds: 2
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD05143

CC1(O)OC(C)(COC2(C)OC(C)(CO)C(C)(O)C(C)(O)C2(C)O)C(C)(O)C(C)(O)C1(C)O