Glycoside
...
GD148175

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-[(4-aminobutyl)amino]propyl}-1,3-thiazole-5-carboximidic acid

Formula:
C58H89O21N19S2

Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3ncc(C(O)=NCCCNCCCCN)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)=NCCCNCCCCN)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: 40 RingCount: 7
HBD: 28 FractionCSP3: 0.64
AlogP: -2.09 Num_rotatable_bonds: 39
MolWt: 1452.6 Num_heavy_atoms: 100
TPSA: 686.27 NumAromaticRings: 4

Unique Aglycone
AD59304
Formula: C45H68O10N18S2

Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)C(C)C(O)=NC(C(O)=NCCc2nc(-c3ncc(C(O)=NCCCNCCCCN)s3)cs2)C2(O)CC2)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N
HBA: 28 RingCount: 5
HBD: 21 FractionCSP3: 0.56
AlogP: 1.74 Num_rotatable_bonds: 32
MolWt: 1085.29 Num_heavy_atoms: 75
TPSA: 494.89 NumAromaticRings: 4

Sugarmoiety
SD05420

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