Glycoside
...
GD005758

Name:
None

Formula:
C60H102O15N12S2

Smiles:
CCCCCC(=O)O[C@@H]1[C@H](OC(=O)CCCCC)[C@@H](OC(=O)CCCCC)[C@H](O[C@@H]2O[C@@H](Cn3cc(CNC(=S)NCCN)nn3)[C@@H](OC(=O)CCCCC)[C@@H](OC(=O)CCCCC)[C@H]2OC(=O)CCCCC)O[C@@H]1Cn1cc(CNC(=S)NCCN)nn1

Aglycone:
CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.CCCCCC(=O)O.Cn1cc(CNC(=S)NCCN)nn1.Cn1cc(CNC(=S)NCCN)nn1

Sugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 4
HBD: 8 FractionCSP3: 0.8
AlogP: 5.83 Num_rotatable_bonds: 44
MolWt: 1295.68 Num_heavy_atoms: 89
TPSA: 347.07 NumAromaticRings: 2

Unique Aglycone
AD00130
Formula: C6H12O2

Smiles:
CCCCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: 1.65 Num_rotatable_bonds: 4
MolWt: 116.16 Num_heavy_atoms: 8
TPSA: 37.3 NumAromaticRings: 0
AD04843
Formula: C7H14N6S

Smiles:
Cn1cc(CNC(=S)NCCN)nn1
HBA: 6 RingCount: 1
HBD: 4 FractionCSP3: 0.57
AlogP: -1.26 Num_rotatable_bonds: 4
MolWt: 214.3 Num_heavy_atoms: 14
TPSA: 80.79 NumAromaticRings: 1

Sugarmoiety
SD00200

OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O