Glycoside
...
GD010997

Name:
None

Formula:
C48H81O11N5S

Smiles:
CO[C@@]1(C)C[C@H](C)[C@H](O)[C@H](C)CN(C)C[C@H](COCc2cn(-c3ccc(SC)cc3)nn2)CC(=O)[C@@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O

Aglycone:
COC1(C)CC(C)C(O)C(C)CN(C)CC(COCc2cn(-c3ccc(SC)cc3)nn2)CC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 3 FractionCSP3: 0.81
AlogP: 4.82 Num_rotatable_bonds: 13
MolWt: 936.27 Num_heavy_atoms: 65
TPSA: 179.56 NumAromaticRings: 2

Unique Aglycone
AD08433
Formula: C40H67O8N5S

Smiles:
COC1(C)CC(C)C(O)C(C)CN(C)CC(COCc2cn(-c3ccc(SC)cc3)nn2)CC(=O)C(C)C(O)C(C)C1OC1OC(C)CC(N(C)C)C1O
HBA: 13 RingCount: 4
HBD: 3 FractionCSP3: 0.78
AlogP: 3.9 Num_rotatable_bonds: 10
MolWt: 778.07 Num_heavy_atoms: 54
TPSA: 151.87 NumAromaticRings: 2

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O