Glycoside
...
GD142259

Name:
1'-({2-[4-amino-4-hydroxy-1-(1H-imidazol-4-yl)butyl]-4-(hydroxymethyl)-5-oxopyrrolidin-3-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:
C52H82O13N4

Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6C(CO)C(O)=NC6C(CCC(N)O)c6cnc[nH]6)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(CO)C(O)=NC6C(CCC(N)O)c6cnc[nH]6)C(O)C(O)C(C)(CO)C5CC5(CCCC5)C43C)C2C1

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 9
HBD: 13 FractionCSP3: 0.87
AlogP: 3.53 Num_rotatable_bonds: 13
MolWt: 971.24 Num_heavy_atoms: 69
TPSA: 304.89 NumAromaticRings: 1

Unique Aglycone
AD57258
Formula: C47H74O9N4

Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)C(CC6C(CO)C(O)=NC6C(CCC(N)O)c6cnc[nH]6)C(O)C(O)C(C)(CO)C5CC5(CCCC5)C43C)C2C1
HBA: 13 RingCount: 8
HBD: 11 FractionCSP3: 0.85
AlogP: 5.06 Num_rotatable_bonds: 11
MolWt: 839.13 Num_heavy_atoms: 60
TPSA: 245.97 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O