Glycoside
...
GD140626

Name:
2-{[2-({1-[(6-amino-2-{1-[(2-amino-2-carbamoylethyl)amino]-2-carbamoylethyl}-5-methylpyrimidin-4-yl)formamido]-1-({1-[(1-{[2-(4-{4-[(3-carbamimidoylpropyl)carbamoyl]-1,3-thiazol-2-yl}-4,5-dihydro-1,3-thiazol-2-yl)ethyl]carbamoyl}-2-hydroxy-2-methylpropyl)carbamoyl]-2,5-dihydroxy-1-methylpentan-3-yl}carbamoyl)propan-2-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl carbamate

Formula:
C54H87O21N17S2

Smiles:
Cc1c(C(O)=NC(C(O)=NC(CCO)C(O)C(C)C(O)=NC(C(O)=NCCC2=NC(c3nc(C(O)=NCCCC(=N)N)cs3)CS2)C(C)(C)O)C(C)OC2OC(C)C(O)C(O)C2OC2OC(CO)C(O)C(OC(=N)O)C2O)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N

Aglycone:
Cc1c(C(O)=NC(C(O)=NC(CCO)C(O)C(C)C(O)=NC(C(O)=NCCC2=NC(c3nc(C(O)=NCCCC(=N)N)cs3)CS2)C(C)(C)O)C(C)O)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N

Sugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(OC(=N)O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 38 RingCount: 5
HBD: 27 FractionCSP3: 0.69
AlogP: -1.63 Num_rotatable_bonds: 35
MolWt: 1374.52 Num_heavy_atoms: 94
TPSA: 668.88 NumAromaticRings: 2

Unique Aglycone
AD56697
Formula: C41H66O11N16S2

Smiles:
Cc1c(C(O)=NC(C(O)=NC(CCO)C(O)C(C)C(O)=NC(C(O)=NCCC2=NC(c3nc(C(O)=NCCCC(=N)N)cs3)CS2)C(C)(C)O)C(C)O)nc(C(CC(=N)O)NCC(N)C(=N)O)[nH]c1=N
HBA: 27 RingCount: 3
HBD: 21 FractionCSP3: 0.61
AlogP: 1.18 Num_rotatable_bonds: 29
MolWt: 1023.21 Num_heavy_atoms: 70
TPSA: 497.73 NumAromaticRings: 2

Sugarmoiety
SD07765

CC1OC(O)C(OC2OC(CO)C(O)C(OC(=N)O)C2O)C(O)C1O