Glycoside
...
GD125052

Name:
11-[4-amino-1-(1H-imidazol-4-yl)butyl]-15-hydroxy-17,28-bis(hydroxymethyl)-17,21,22,28,34-pentamethyl-9-oxo-16-[(3,4,5-trihydroxyoxan-2-yl)oxy]-10-azaoctacyclo[16.14.2.0⁴,⁸.0⁸,¹².0¹⁴,³⁴.0²¹,³³.0²²,³¹.0²⁵,³⁰]tetratriacont-31-en-2-yne-25-carboxylic acid

Formula:
C53H78O11N4

Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC4C#CC5CCCC56C(O)=NC(C(CCCN)c5cnc[nH]5)C6CC5C(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C6CCC3(C)C4C56C)C2C1

Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC4C#CC5CCCC56C(O)=NC(C(CCCN)c5cnc[nH]5)C6CC5C(O)C(O)C(C)(CO)C6CCC3(C)C4C56C)C2C1

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 10
HBD: 11 FractionCSP3: 0.83
AlogP: 4.46 Num_rotatable_bonds: 10
MolWt: 947.22 Num_heavy_atoms: 68
TPSA: 264.43 NumAromaticRings: 1

Unique Aglycone
AD50564
Formula: C48H70O7N4

Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CC4C#CC5CCCC56C(O)=NC(C(CCCN)c5cnc[nH]5)C6CC5C(O)C(O)C(C)(CO)C6CCC3(C)C4C56C)C2C1
HBA: 11 RingCount: 9
HBD: 9 FractionCSP3: 0.81
AlogP: 6.0 Num_rotatable_bonds: 8
MolWt: 815.11 Num_heavy_atoms: 59
TPSA: 205.51 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O