Glycoside
...
GD027143

Name:
None

Formula:
C27H52O11N6S

Smiles:
CC(C)(CO)[C@H](O)C(=O)NCCC(=O)NCCSCCCC(=O)NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1O

Aglycone:
CNC(=O)CCCSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:
NC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 2
HBD: 15 FractionCSP3: 0.89
AlogP: -5.44 Num_rotatable_bonds: 17
MolWt: 668.81 Num_heavy_atoms: 45
TPSA: 305.2 NumAromaticRings: 0

Unique Aglycone
AD00009
Formula: C6H14O3N2

Smiles:
NC1CC(N)C(O)C(O)C1O
HBA: 5 RingCount: 1
HBD: 7 FractionCSP3: 1.0
AlogP: -2.87 Num_rotatable_bonds: 0
MolWt: 162.19 Num_heavy_atoms: 11
TPSA: 112.73 NumAromaticRings: 0
AD17868
Formula: C16H31O5N3S

Smiles:
CNC(=O)CCCSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO
HBA: 8 RingCount: 0
HBD: 5 FractionCSP3: 0.81
AlogP: -0.75 Num_rotatable_bonds: 13
MolWt: 377.51 Num_heavy_atoms: 25
TPSA: 127.76 NumAromaticRings: 0

Sugarmoiety
SD00266

NC1C(O)OC(O)C(O)C1O