Glycoside
...
GD155338

Name:
(3-{[(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]-1,3-dihydroxybutylidene}amino)ethyl]-4,5-dihydro-1,3-thiazol-4-yl}-1,3-thiazol-4-yl)(hydroxy)methylidene]amino}propyl)dimethylsulfanium

Formula:
C55H86O21N17S3

Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCC2=NC(c3nc(C(O)=NCCC[S+](C)C)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)=NCCC[S+](C)C)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: 38 RingCount: 6
HBD: 25 FractionCSP3: 0.65
AlogP: -1.78 Num_rotatable_bonds: 35
MolWt: 1417.59 Num_heavy_atoms: 96
TPSA: 647.69 NumAromaticRings: 3

Unique Aglycone
AD61624
Formula: C42H65O10N16S3

Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCC2=NC(c3nc(C(O)=NCCC[S+](C)C)cs3)CS2)C(C)O)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N
HBA: 26 RingCount: 4
HBD: 18 FractionCSP3: 0.57
AlogP: 2.06 Num_rotatable_bonds: 28
MolWt: 1050.29 Num_heavy_atoms: 71
TPSA: 456.31 NumAromaticRings: 3

Sugarmoiety
SD05420

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