Glycoside
...
GD001232

Name:
None

Formula:
C43H59O11N5S

Smiles:
CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@H](O[C@@H]2O[C@H](O)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC(=O)NCC=Cc2ccc(-c3cccnn3)cc2)C[C@H](C)C(=O)[C@H](C)[C@@H]2NC(=S)O[C@@]12C

Aglycone:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC(=O)NCC=Cc2ccc(-c3cccnn3)cc2)CC(C)C(=O)C(C)C2NC(=S)OC12C

Sugarmoiety:
CN(C)C1CC(O)OC(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 4 FractionCSP3: 0.6
AlogP: 3.82 Num_rotatable_bonds: 9
MolWt: 854.04 Num_heavy_atoms: 60
TPSA: 207.97 NumAromaticRings: 2

Unique Aglycone
AD01274
Formula: C36H46O8N4S

Smiles:
CCC1OC(=O)C(C)C(=O)C(C)C(O)C(C)(OC(=O)NCC=Cc2ccc(-c3cccnn3)cc2)CC(C)C(=O)C(C)C2NC(=S)OC12C
HBA: 12 RingCount: 4
HBD: 3 FractionCSP3: 0.53
AlogP: 4.44 Num_rotatable_bonds: 6
MolWt: 694.85 Num_heavy_atoms: 49
TPSA: 166.04 NumAromaticRings: 2

Sugarmoiety
SD00344

CN(C)C1CC(O)OC(O)C1O