Glycoside
...
GD122758

Name:
12-({2-[4-amino-1-(1H-imidazol-4-yl)butyl]-5-oxopyrrolidin-3-yl}methyl)-12a-cyclohexyl-6-ethyl-11-hydroxy-2,9-bis(hydroxymethyl)-2,6a,6b,9-tetramethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:
C54H86O11N4

Smiles:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C5CCCCC5)C(CC5CC(O)=NC5C(CCCN)c5cnc[nH]5)C(O)C(OC5OCC(O)C(O)C5O)C(C)(CO)C4CCC3(C)C21C

Aglycone:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C5CCCCC5)C(CC5CC(O)=NC5C(CCCN)c5cnc[nH]5)C(O)C(O)C(C)(CO)C4CCC3(C)C21C

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 9
HBD: 11 FractionCSP3: 0.87
AlogP: 6.02 Num_rotatable_bonds: 14
MolWt: 967.3 Num_heavy_atoms: 69
TPSA: 264.43 NumAromaticRings: 1

Unique Aglycone
AD49505
Formula: C49H78O7N4

Smiles:
CCC1CC2(C(=O)O)CCC(C)(CO)CC2C2=CCC3C4(C5CCCCC5)C(CC5CC(O)=NC5C(CCCN)c5cnc[nH]5)C(O)C(O)C(C)(CO)C4CCC3(C)C21C
HBA: 11 RingCount: 8
HBD: 9 FractionCSP3: 0.86
AlogP: 7.55 Num_rotatable_bonds: 12
MolWt: 835.18 Num_heavy_atoms: 60
TPSA: 205.51 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O