Glycoside
...
GD125924

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}-6-ethyl-4,5-dimethyloxan-2-yl)oxy]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino}-1,3-dihydroxy-2-methylpentylidene)amino]-1,3-dihydroxybutylidene}amino)ethyl]-1,3-thiazol-4-yl}-N-(4-carbamimidamidobutyl)-1,3-thiazole-4-carboximidic acid

Formula:
C58H90O18N20S2

Smiles:
CCC1OC(OC(c2cnc[nH]2)C(N=C(O)c2nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c(=N)c2C)C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCCCNC(=N)N)cs3)cs2)C(C)O)C(OC2OC(CO)C(O)C(OC(=N)O)C2O)C(C)C1C

Aglycone:
CCC1OC(OC(c2cnc[nH]2)C(N=C(O)c2nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c(=N)c2C)C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCCCNC(=N)N)cs3)cs2)C(C)O)C(O)C(C)C1C

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

Other Identifiers

Properties
HBA: 38 RingCount: 6
HBD: 26 FractionCSP3: 0.62
AlogP: 1.27 Num_rotatable_bonds: 36
MolWt: 1419.61 Num_heavy_atoms: 98
TPSA: 649.43 NumAromaticRings: 4

Unique Aglycone
AD50929
Formula: C51H79O12N19S2

Smiles:
CCC1OC(OC(c2cnc[nH]2)C(N=C(O)c2nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c(=N)c2C)C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3nc(C(O)=NCCCCNC(=N)N)cs3)cs2)C(C)O)C(O)C(C)C1C
HBA: 31 RingCount: 5
HBD: 22 FractionCSP3: 0.59
AlogP: 2.93 Num_rotatable_bonds: 32
MolWt: 1214.45 Num_heavy_atoms: 84
TPSA: 537.2 NumAromaticRings: 4

Sugarmoiety
SD06548

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