Glycoside
...
GD141587

Name:
3-amino-6-{[(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-dihydroxypentylidene)amino]-1,3-dihydroxybutylidene}amino)-2-[(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-1-hydroxyethyl]-1,3-thiazol-4-yl}-1,3-thiazol-4-yl)(hydroxy)methylidene]amino}-N-{3-[(2-hydroxyethyl)amino]propyl}hexanimidic acid

Formula:
C66H105O28N21S2

Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)CC(O)=NC(C(O)=NC(OC2OC(C)C(N)C(O)C2O)C(O)c2nc(-c3nc(C(O)=NCCCC(N)CC(O)=NCCCNCCO)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)CC(O)=NC(C(O)=NC(O)C(O)c2nc(-c3nc(C(O)=NCCCC(N)CC(O)=NCCCNCCO)cs3)cs2)C(C)O)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N

Sugarmoiety:
CC1OC(O)C(O)C(O)C1N.N=C(O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 49 RingCount: 7
HBD: 35 FractionCSP3: 0.67
AlogP: -5.15 Num_rotatable_bonds: 45
MolWt: 1704.82 Num_heavy_atoms: 117
TPSA: 844.26 NumAromaticRings: 4

Unique Aglycone
AD57027
Formula: C47H73O14N19S2

Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)CC(O)=NC(C(O)=NC(O)C(O)c2nc(-c3nc(C(O)=NCCCC(N)CC(O)=NCCCNCCO)cs3)cs2)C(C)O)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N
HBA: 33 RingCount: 4
HBD: 25 FractionCSP3: 0.55
AlogP: -0.13 Num_rotatable_bonds: 36
MolWt: 1192.35 Num_heavy_atoms: 82
TPSA: 588.17 NumAromaticRings: 4

Sugarmoiety
SD04958

CC1OC(O)C(O)C(O)C1N.N=C(O)OC1C(O)C(CO)OC(OC2C(O)OC(CO)C(O)C2O)C1O