Glycoside
...
GD129327

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-[bis(2-hydroxyethyl)amino]propyl}hexanimidic acid

Formula:
C68H109O29N21S2

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)=NCCCN(CCO)CCO)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)=NCCCN(CCO)CCO)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: 50 RingCount: 7
HBD: 35 FractionCSP3: 0.68
AlogP: -5.44 Num_rotatable_bonds: 47
MolWt: 1748.87 Num_heavy_atoms: 120
TPSA: 855.7 NumAromaticRings: 4

Unique Aglycone
AD52395
Formula: C49H77O15N19S2

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)=NCCCN(CCO)CCO)cs3)cs2)C(C)O)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N
HBA: 34 RingCount: 4
HBD: 25 FractionCSP3: 0.57
AlogP: -0.43 Num_rotatable_bonds: 38
MolWt: 1236.41 Num_heavy_atoms: 85
TPSA: 599.61 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