Glycoside
...
GD138651

Name:
1'-({3-[4-amino-1-(1H-imidazol-4-yl)butyl]-1-oxo-2-azaspiro[4.4]nonan-4-yl}methyl)-2'-hydroxy-4',11'-bis(hydroxymethyl)-4',6'a,6'b,11',14'b-pentamethyl-3'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2',3',4',4'a,5',6'a,6'b,7',8',8'a,9',10',11',12',12'a,14',14'a,14'b-octadecahydro-1'H-spiro[cyclopentane-1,6'-picene]-8'a-carboxylic acid

Formula:
C55H86O11N4

Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6C(C(CCCN)c7cnc[nH]7)N=C(O)C67CCCC7)C(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CC5(CCCC5)C43C)C2C1

Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6C(C(CCCN)c7cnc[nH]7)N=C(O)C67CCCC7)C(O)C(O)C(C)(CO)C5CC5(CCCC5)C43C)C2C1

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 10
HBD: 11 FractionCSP3: 0.87
AlogP: 6.16 Num_rotatable_bonds: 12
MolWt: 979.31 Num_heavy_atoms: 70
TPSA: 264.43 NumAromaticRings: 1

Unique Aglycone
AD55945
Formula: C50H78O7N4

Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6C(C(CCCN)c7cnc[nH]7)N=C(O)C67CCCC7)C(O)C(O)C(C)(CO)C5CC5(CCCC5)C43C)C2C1
HBA: 11 RingCount: 9
HBD: 9 FractionCSP3: 0.86
AlogP: 7.7 Num_rotatable_bonds: 10
MolWt: 847.19 Num_heavy_atoms: 61
TPSA: 205.51 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O