Glycoside
...
GD022052

Name:
TRACHEAL CYTOTOXIN

Formula:
C37H60O19N8

Smiles:
CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@@H]3CO[C@H](O3)[C@H](NC(C)=O)[C@H]2OC(C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)N[C@H](CCC[C@H](N)C(=O)O)C(=O)NC(=O)[C@H](C)N)C(=O)O)O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:
CC(=O)NC1C2OCC(O2)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(N)C(=O)O)C(=O)NC(=O)C(C)N)C(=O)O

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 3
HBD: 15 FractionCSP3: 0.76
AlogP: -6.74 Num_rotatable_bonds: 23
MolWt: 920.92 Num_heavy_atoms: 64
TPSA: 425.15 NumAromaticRings: 0

Unique Aglycone
AD14994
Formula: C29H47O14N7

Smiles:
CC(=O)NC1C2OCC(O2)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(N)C(=O)O)C(=O)NC(=O)C(C)N)C(=O)O
HBA: 21 RingCount: 2
HBD: 12 FractionCSP3: 0.72
AlogP: -4.71 Num_rotatable_bonds: 19
MolWt: 717.73 Num_heavy_atoms: 50
TPSA: 337.13 NumAromaticRings: 0

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O