Glycoside
...
GD136045

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]-1,3-dihydroxybutylidene}amino)ethyl]-4,5-dihydro-1,3-thiazol-4-yl}-N-(2-carbamimidoylethyl)-1,3-thiazole-4-carboximidic acid

Formula:
C53H81O21N19S2

Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCC2=NC(c3nc(C(O)=NCCC(=N)N)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(=N)N)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: 40 RingCount: 6
HBD: 28 FractionCSP3: 0.62
AlogP: -2.72 Num_rotatable_bonds: 34
MolWt: 1384.48 Num_heavy_atoms: 95
TPSA: 697.56 NumAromaticRings: 3

Unique Aglycone
AD54998
Formula: C40H60O10N18S2

Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCC2=NC(c3nc(C(O)=NCCC(=N)N)cs3)CS2)C(C)O)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N
HBA: 28 RingCount: 4
HBD: 21 FractionCSP3: 0.53
AlogP: 1.11 Num_rotatable_bonds: 27
MolWt: 1017.17 Num_heavy_atoms: 70
TPSA: 506.18 NumAromaticRings: 3

Sugarmoiety
SD05420

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