Glycoside
...
GD149323

Name:
Thiazomycin D

Formula:
C59H55O19N13S5

Smiles:
C=C(N=C(O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(O)=NC(C(C)O)C(O)=NC(=C(C)OC)c2nc(cs2)C(O)=NC2c4nc(cs4)C(O)=NC(COC(=O)c4c5c6c(cccc6n4O)COC(=O)C(OC4CC(C)(O)C(O)C(C)O4)C2OC5)c2nc-3cs2)n1)C(=N)O

Aglycone:
C=C(N=C(O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(O)=NC(C(C)O)C(O)=NC(=C(C)OC)c2nc(cs2)C(O)=NC2c4nc(cs4)C(O)=NC(COC(=O)c4c5c6c(cccc6n4O)COC(=O)C(O)C2OC5)c2nc-3cs2)n1)C(=N)O

Sugarmoiety:
CC1OC(O)CC(C)(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 12
HBD: 12 FractionCSP3: 0.32
AlogP: 7.51 Num_rotatable_bonds: 8
MolWt: 1410.5 Num_heavy_atoms: 96
TPSA: 479.97 NumAromaticRings: 8

Unique Aglycone
AD59720
Formula: C52H43O16N13S5

Smiles:
C=C(N=C(O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(O)=NC(C(C)O)C(O)=NC(=C(C)OC)c2nc(cs2)C(O)=NC2c4nc(cs4)C(O)=NC(COC(=O)c4c5c6c(cccc6n4O)COC(=O)C(O)C2OC5)c2nc-3cs2)n1)C(=N)O
HBA: 29 RingCount: 11
HBD: 11 FractionCSP3: 0.23
AlogP: 7.24 Num_rotatable_bonds: 6
MolWt: 1266.33 Num_heavy_atoms: 86
TPSA: 441.28 NumAromaticRings: 8

Sugarmoiety
SD00693

CC1OC(O)CC(C)(O)C1O