Glycoside
...
GD119234

Name:
2-[(2-{2-[(6-amino-2-{1-[(2-amino-2-carbamoylethyl)amino]-2-carbamoylethyl}-5-methylpyrimidin-4-yl)formamido]-2-[(4-{[1-({1-[(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-2-hydroxy-2-[4-(4-{[3-(methylamino)propyl]carbamoyl}-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl}carbamoyl)-2-hydroxypropyl]carbamoyl}-3-hydroxybutan-2-yl)carbamoyl]-1-(1H-imidazol-4-yl)ethoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl carbamate

Formula:
C59H91O26N19S2

Smiles:
CNCCCN=C(O)c1csc(-c2csc(C(O)C(N=C(O)C(N=C(O)CC(O)C(C)N=C(O)C(N=C(O)c3nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c(=N)c3C)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(OC(=N)O)C3O)c3cnc[nH]3)C(C)O)OC3OC(C)C(N)C(O)C3O)n2)n1

Aglycone:
CNCCCN=C(O)c1csc(-c2csc(C(O)C(O)N=C(O)C(N=C(O)CC(O)C(C)N=C(O)C(N=C(O)c3nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c(=N)c3C)C(O)c3cnc[nH]3)C(C)O)n2)n1

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: 45 RingCount: 7
HBD: 31 FractionCSP3: 0.64
AlogP: -4.97 Num_rotatable_bonds: 37
MolWt: 1546.62 Num_heavy_atoms: 106
TPSA: 765.42 NumAromaticRings: 4

Unique Aglycone
AD47734
Formula: C40H59O12N17S2

Smiles:
CNCCCN=C(O)c1csc(-c2csc(C(O)C(O)N=C(O)C(N=C(O)CC(O)C(C)N=C(O)C(N=C(O)c3nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c(=N)c3C)C(O)c3cnc[nH]3)C(C)O)n2)n1
HBA: 29 RingCount: 4
HBD: 21 FractionCSP3: 0.5
AlogP: 0.05 Num_rotatable_bonds: 28
MolWt: 1034.15 Num_heavy_atoms: 71
TPSA: 509.33 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