Glycoside
...
GD040396

Name:
sequanamycin 9

Formula:
C61H102O20N4S

Smiles:
CON=C1C[C@@H](C)O[C@H](O[C@H]2[C@@H](C)C[C@](C)(OC(=O)NC(C)(C)CNS(=O)(=O)c3ccccc3)C(=O)[C@@H](C)[C@@H](OC(=O)CC(C)C)[C@@H](C)[C@@H]([C@H](C)CO[C@H]3O[C@H](C)[C@H](O)[C@H](OC)[C@@H]3OC)OC(=O)[C@@H](C)[C@H](O[C@@H]3C[C@@H](C)N(C)C[C@H](C)O3)[C@H]2C)[C@H]1O

Aglycone:
CON=C1CC(C)OC(OC2C(C)CC(C)(OC(=O)NC(C)(C)CNS(=O)(=O)c3ccccc3)C(=O)C(C)C(OC(=O)CC(C)C)C(C)C(C(C)CO)OC(=O)C(C)C(OC3CC(C)N(C)CC(C)O3)C2C)C1O

Sugarmoiety:
COC1C(O)OC(C)C(O)C1OC

Other Identifiers

Properties
HBA: 24 RingCount: 5
HBD: 4 FractionCSP3: 0.82
AlogP: 5.76 Num_rotatable_bonds: 20
MolWt: 1243.56 Num_heavy_atoms: 86
TPSA: 293.3 NumAromaticRings: 1

Unique Aglycone
AD24754
Formula: C53H88O16N4S

Smiles:
CON=C1CC(C)OC(OC2C(C)CC(C)(OC(=O)NC(C)(C)CNS(=O)(=O)c3ccccc3)C(=O)C(C)C(OC(=O)CC(C)C)C(C)C(C(C)CO)OC(=O)C(C)C(OC3CC(C)N(C)CC(C)O3)C2C)C1O
HBA: 20 RingCount: 4
HBD: 4 FractionCSP3: 0.79
AlogP: 5.6 Num_rotatable_bonds: 16
MolWt: 1069.37 Num_heavy_atoms: 74
TPSA: 256.38 NumAromaticRings: 1

Sugarmoiety
SD00057

COC1C(O)OC(C)C(O)C1OC