Glycoside
...
GD018826

Name:
None

Formula:
C29H52O14N6S

Smiles:
CC(C)(COC(=O)CCC(=O)O)[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)CCC(=O)O.NC1CC(N)C(O)C(O)C1O

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

Other Identifiers

Properties
HBA: 20 RingCount: 2
HBD: 15 FractionCSP3: 0.83
AlogP: -5.81 Num_rotatable_bonds: 19
MolWt: 740.83 Num_heavy_atoms: 50
TPSA: 348.57 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
AD13210
Formula: C18H31O8N3S

Smiles:
CNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COC(=O)CCC(=O)O
HBA: 11 RingCount: 0
HBD: 5 FractionCSP3: 0.72
AlogP: -1.12 Num_rotatable_bonds: 15
MolWt: 449.53 Num_heavy_atoms: 30
TPSA: 171.13 NumAromaticRings: 0

Sugarmoiety
SD00266

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