Glycoside
...
GD133519

Name:
2-{2-[2-({2-[(4-{[2-({[2-(1-{[2-amino-2-(C-hydroxycarbonimidoyl)ethyl]amino}-2-(C-hydroxycarbonimidoyl)ethyl)-6-imino-5-methyl-1,6-dihydropyrimidin-4-yl](hydroxy)methylidene}amino)-3-[(3-{[3,5-dihydroxy-4-(C-hydroxycarbonimidoyloxy)-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino}-1,3-dihydroxy-2-methylpentylidene)amino]-1-hydroxy-2-(1-hydroxycyclopropyl)ethylidene}amino)ethyl]-1,3-thiazol-4-yl}-N-{3-[(1-phenylethyl)amino]propyl}-1,3-thiazole-5-carboximidic acid

Formula:
C62H88O21N18S2

Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3ncc(C(O)=NCCCNC(C)c4ccccc4)s3)cs2)C2(O)CC2)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)=NCCc2nc(-c3ncc(C(O)=NCCCNC(C)c4ccccc4)s3)cs2)C2(O)CC2)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: 8
HBD: 26 FractionCSP3: 0.56
AlogP: -0.07 Num_rotatable_bonds: 37
MolWt: 1485.63 Num_heavy_atoms: 103
TPSA: 660.25 NumAromaticRings: 5

Unique Aglycone
AD54034
Formula: C49H67O10N17S2

Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3ncc(C(O)=NCCCNC(C)c4ccccc4)s3)cs2)C2(O)CC2)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N
HBA: 27 RingCount: 6
HBD: 19 FractionCSP3: 0.47
AlogP: 3.76 Num_rotatable_bonds: 30
MolWt: 1118.32 Num_heavy_atoms: 78
TPSA: 468.87 NumAromaticRings: 5

Sugarmoiety
SD05420

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