Glycoside
...
GD133610

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-({2-[(2-hydroxyethyl)amino]ethyl}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:
C59H91O27N19S2

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)=NCCNCCO)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)=NCCNCCO)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: 46 RingCount: 7
HBD: 32 FractionCSP3: 0.64
AlogP: -5.99 Num_rotatable_bonds: 38
MolWt: 1562.62 Num_heavy_atoms: 107
TPSA: 785.65 NumAromaticRings: 4

Unique Aglycone
AD54070
Formula: C40H59O13N17S2

Smiles:
Cc1c(C(O)=NC(C(O)=NC(C)C(O)CC(O)=NC(C(O)=NC(O)C(O)c2nc(-c3nc(C(O)=NCCNCCO)cs3)cs2)C(C)O)C(O)c2cnc[nH]2)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N
HBA: 30 RingCount: 4
HBD: 22 FractionCSP3: 0.5
AlogP: -0.98 Num_rotatable_bonds: 29
MolWt: 1050.15 Num_heavy_atoms: 72
TPSA: 529.56 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