Glycoside
...
GD128759

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-[4-(N'-{4-[N'-(4-carbamimidamidobutyl)carbamimidamido]butyl}carbamimidamido)butyl]-1,3-thiazole-4-carboximidic acid

Formula:
C65H108O21N26S2

Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCC2=NC(c3nc(C(O)=NCCCCNC(=N)NCCCCNC(=N)NCCCCNC(=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)=NCCCCNC(=N)NCCCCNC(=N)NCCCCNC(=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: 47 RingCount: 6
HBD: 35 FractionCSP3: 0.66
AlogP: -2.99 Num_rotatable_bonds: 46
MolWt: 1653.87 Num_heavy_atoms: 114
TPSA: 805.41 NumAromaticRings: 3

Unique Aglycone
AD52157
Formula: C52H87O10N25S2

Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCC2=NC(c3nc(C(O)=NCCCCNC(=N)NCCCCNC(=N)NCCCCNC(=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: 35 RingCount: 4
HBD: 28 FractionCSP3: 0.6
AlogP: 0.84 Num_rotatable_bonds: 39
MolWt: 1286.57 Num_heavy_atoms: 89
TPSA: 614.03 NumAromaticRings: 3

Sugarmoiety
SD05420

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