Glycoside
...
GD034675

Name:
None

Formula:
C29H52O13N6S

Smiles:
CC(=O)CC(=O)OCC(C)(C)[C@H](O)C(=O)NCCC(=O)NCCSCC(=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)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COC(=O)CC(C)=O.NC1CC(N)C(O)C(O)C1O

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

Other Identifiers

Properties
HBA: 19 RingCount: 2
HBD: 14 FractionCSP3: 0.83
AlogP: -5.69 Num_rotatable_bonds: 18
MolWt: 724.83 Num_heavy_atoms: 49
TPSA: 328.34 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
AD22012
Formula: C18H31O7N3S

Smiles:
CNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COC(=O)CC(C)=O
HBA: 10 RingCount: 0
HBD: 4 FractionCSP3: 0.72
AlogP: -1.0 Num_rotatable_bonds: 14
MolWt: 433.53 Num_heavy_atoms: 29
TPSA: 150.9 NumAromaticRings: 0

Sugarmoiety
SD00266

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