Glycoside
...
GD134283

Name:
31-[4-amino-2,4-dihydroxy-1-(1H-imidazol-4-yl)butyl]-42-cyclopentyl-27-hydroxy-6,25-bis(hydroxymethyl)-6,20,21,25-tetramethyl-33-oxo-26-[(3,4,5-trihydroxyoxan-2-yl)oxy]-12,14,16,32-tetraazadecacyclo[22.16.2.0³,²⁰.0⁴,⁹.0¹⁰,¹⁹.0¹³,¹⁷.0²¹,⁴¹.0²⁸,⁴².0³⁰,³⁴.0³⁴,³⁸]dotetraconta-2,13(17),14-trien-39-yne-9-carboxylic acid

Formula:
C62H89O13N7

Smiles:
CC1(CO)CCC2(C(=O)O)C(C1)C1=CC3C#CC4CCCC45C(O)=NC(C(c4cnc[nH]4)C(O)CC(N)O)C5CC4C(O)C(OC5OCC(O)C(O)C5O)C(C)(CO)C5CCC(C)(C3C45C3CCCC3)C1(C)C1Cc3nc[nH]c3NCC12

Aglycone:
CC1(CO)CCC2(C(=O)O)C(C1)C1=CC3C#CC4CCCC45C(O)=NC(C(c4cnc[nH]4)C(O)CC(N)O)C5CC4C(O)C(O)C(C)(CO)C5CCC(C)(C3C45C3CCCC3)C1(C)C1Cc3nc[nH]c3NCC12

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 13
HBD: 15 FractionCSP3: 0.81
AlogP: 3.76 Num_rotatable_bonds: 11
MolWt: 1140.43 Num_heavy_atoms: 82
TPSA: 345.6 NumAromaticRings: 2

Unique Aglycone
AD54328
Formula: C57H81O9N7

Smiles:
CC1(CO)CCC2(C(=O)O)C(C1)C1=CC3C#CC4CCCC45C(O)=NC(C(c4cnc[nH]4)C(O)CC(N)O)C5CC4C(O)C(O)C(C)(CO)C5CCC(C)(C3C45C3CCCC3)C1(C)C1Cc3nc[nH]c3NCC12
HBA: 16 RingCount: 12
HBD: 13 FractionCSP3: 0.79
AlogP: 5.3 Num_rotatable_bonds: 9
MolWt: 1008.31 Num_heavy_atoms: 73
TPSA: 286.68 NumAromaticRings: 2

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O