Glycoside
...
GD027127

Name:
None

Formula:
C27H34O4N6S

Smiles:
C[C@H](NC(=O)[C@H](O)[C@H](O)C(=O)N1CCC[C@H]1c1csc(N2CCCCC2)n1)c1ccc(-n2cccn2)cc1

Aglycone:
CC(N)c1ccc(-n2cccn2)cc1.c1sc(N2CCCCC2)nc1C1CCCN1

Sugarmoiety:
O=C(O)C(O)C(O)C(=O)O

Other Identifiers

Properties
HBA: 10 RingCount: 5
HBD: 3 FractionCSP3: 0.48
AlogP: 2.58 Num_rotatable_bonds: 8
MolWt: 538.67 Num_heavy_atoms: 38
TPSA: 123.82 NumAromaticRings: 3

Unique Aglycone
AD01153
Formula: C11H13N3

Smiles:
CC(N)c1ccc(-n2cccn2)cc1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.18
AlogP: 1.89 Num_rotatable_bonds: 2
MolWt: 187.25 Num_heavy_atoms: 14
TPSA: 43.84 NumAromaticRings: 2
AD17855
Formula: C12H19N3S

Smiles:
c1sc(N2CCCCC2)nc1C1CCCN1
HBA: 3 RingCount: 3
HBD: 1 FractionCSP3: 0.75
AlogP: 2.56 Num_rotatable_bonds: 2
MolWt: 237.37 Num_heavy_atoms: 16
TPSA: 28.16 NumAromaticRings: 1

Sugarmoiety
SD00169

O=C(O)C(O)C(O)C(=O)O