Glycoside
...
GD019460

Name:
THIAZOMYCIN D

Formula:
C59H55O18N13S5

Smiles:
C=C(NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)N[C@H]([C@H](C)O)C(=O)NC(=C(C)OC)c2nc(cs2)C(=O)N[C@@H]2c4nc(cs4)C(=O)N[C@H](COC(=O)c4[nH]c5cccc6c5c4CO[C@H]2[C@H](O[C@@H]2C[C@@](C)(O)[C@H](O)[C@H](C)O2)C(=O)OC6)c2nc-3cs2)n1)C(N)=O

Aglycone:
C=C(NC(=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)c4[nH]c5cccc6c5c4COC2C(O)C(=O)OC6)c2nc-3cs2)n1)C(N)=O

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

Other Identifiers

Properties
HBA: 31 RingCount: 12
HBD: 12 FractionCSP3: 0.32
AlogP: 3.61 Num_rotatable_bonds: 8
MolWt: 1394.5 Num_heavy_atoms: 95
TPSA: 452.16 NumAromaticRings: 8

Unique Aglycone
AD13580
Formula: C52H43O15N13S5

Smiles:
C=C(NC(=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)c4[nH]c5cccc6c5c4COC2C(O)C(=O)OC6)c2nc-3cs2)n1)C(N)=O
HBA: 28 RingCount: 11
HBD: 11 FractionCSP3: 0.23
AlogP: 3.34 Num_rotatable_bonds: 6
MolWt: 1250.33 Num_heavy_atoms: 85
TPSA: 413.47 NumAromaticRings: 8

Sugarmoiety
SD00693

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