Glycoside
...
GD022192

Name:
LIPOSIDOMYCIN B

Formula:
C41H64O21N5S

Smiles:
CC(C)CCCCCCCC(CC(=O)O[C@@H]1CN(C)[C@H]([C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H]2OS(=O)(=O)[O-])[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)C(=O)N(C)[C@H]1C(=O)O)OC(=O)CC(C)CC(=O)O

Aglycone:
CC(C)CCCCCCCC(CC(=O)OC1CN(C)C(CO)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O.O=S(=O)([O-])O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 4
HBD: 8 FractionCSP3: 0.78
AlogP: -2.24 Num_rotatable_bonds: 25
MolWt: 995.04 Num_heavy_atoms: 68
TPSA: 386.44 NumAromaticRings: 1

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD00426
Formula: HO4S

Smiles:
O=S(=O)([O-])O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.0
AlogP: -1.0 Num_rotatable_bonds: 0
MolWt: 97.07 Num_heavy_atoms: 5
TPSA: 77.43 NumAromaticRings: 0
AD03542
Formula: C28H48O10N2

Smiles:
CC(C)CCCCCCCC(CC(=O)OC1CN(C)C(CO)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O
HBA: 12 RingCount: 1
HBD: 3 FractionCSP3: 0.82
AlogP: 2.31 Num_rotatable_bonds: 18
MolWt: 572.7 Num_heavy_atoms: 40
TPSA: 170.98 NumAromaticRings: 0

Sugarmoiety
SD00045

NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O