Glycoside
...
GD142138

Name:
2-[(2-{2-[(6-amino-2-{1-[(2-amino-2-carbamoylethyl)amino]-2-carbamoylethyl}-5-methylpyrimidin-4-yl)formamido]-2-{[3-hydroxy-4-({2-hydroxy-1-[(2-{4-[4-({3-[(1-phenylethyl)amino]propyl}carbamoyl)-1,3-thiazol-2-yl]-4,5-dihydro-1,3-thiazol-2-yl}ethyl)carbamoyl]propyl}carbamoyl)-4-methylbutan-2-yl]carbamoyl}-1-(1H-imidazol-4-yl)ethoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl carbamate

Formula:
C61H90O21N18S2

Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCC2=NC(c3nc(C(O)=NCCCNC(C)c4ccccc4)cs3)CS2)C(C)O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(OC(=N)O)C2O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N

Aglycone:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCC2=NC(c3nc(C(O)=NCCCNC(C)c4ccccc4)cs3)CS2)C(C)O)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N

Sugarmoiety:
N=C(O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 39 RingCount: 7
HBD: 26 FractionCSP3: 0.59
AlogP: -0.31 Num_rotatable_bonds: 37
MolWt: 1475.63 Num_heavy_atoms: 102
TPSA: 659.72 NumAromaticRings: 4

Unique Aglycone
AD57210
Formula: C48H69O10N17S2

Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCC2=NC(c3nc(C(O)=NCCCNC(C)c4ccccc4)cs3)CS2)C(C)O)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N
HBA: 27 RingCount: 5
HBD: 19 FractionCSP3: 0.5
AlogP: 3.53 Num_rotatable_bonds: 30
MolWt: 1108.32 Num_heavy_atoms: 77
TPSA: 468.34 NumAromaticRings: 4

Sugarmoiety
SD05420

N=C(O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1O