Glycoside
...
GD121273

Name:
{1-[(1-{2-[(4-carbamimidamidobutyl)carbamoyl]-6-chloro-octahydro-1H-indol-1-yl}-4-methyl-1-oxo-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentan-2-yl)carbamoyl]-2-phenylethoxy}sulfonic acid

Formula:
C35H53O12N6ClS

Smiles:
CC(C)C(OC1OCC(O)C(O)C1O)C(N=C(O)C(Cc1ccccc1)OS(=O)(=O)O)C(=O)N1C(C(O)=NCCCCNC(=N)N)CC2CCC(Cl)CC21

Aglycone:
CC(C)C(O)C(N=C(O)C(Cc1ccccc1)OS(=O)(=O)O)C(=O)N1C(C(O)=NCCCCNC(=N)N)CC2CCC(Cl)CC21

Sugarmoiety:
OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 4
HBD: 10 FractionCSP3: 0.71
AlogP: 0.82 Num_rotatable_bonds: 17
MolWt: 805.35 Num_heavy_atoms: 54
TPSA: 290.14 NumAromaticRings: 1

Unique Aglycone
AD48804
Formula: C30H45O8N6ClS

Smiles:
CC(C)C(O)C(N=C(O)C(Cc1ccccc1)OS(=O)(=O)O)C(=O)N1C(C(O)=NCCCCNC(=N)N)CC2CCC(Cl)CC21
HBA: 14 RingCount: 3
HBD: 8 FractionCSP3: 0.66
AlogP: 2.36 Num_rotatable_bonds: 15
MolWt: 673.23 Num_heavy_atoms: 45
TPSA: 231.22 NumAromaticRings: 1

Sugarmoiety
SD00050

OC1COC(O)C(O)C1O