Glycoside
...
GD022871

Name:
None

Formula:
C19H24O4N4S

Smiles:
O=C(NCCc1cccs1)[C@H](O)[C@H](O)C(=O)N1CCN(c2ccccn2)CC1

Aglycone:
NCCc1cccs1.c1ccc(N2CCNCC2)nc1

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

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 3 FractionCSP3: 0.42
AlogP: -0.13 Num_rotatable_bonds: 7
MolWt: 404.49 Num_heavy_atoms: 28
TPSA: 106.0 NumAromaticRings: 2

Unique Aglycone
AD02148
Formula: C6H9NS

Smiles:
NCCc1cccs1
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: 1.25 Num_rotatable_bonds: 2
MolWt: 127.21 Num_heavy_atoms: 8
TPSA: 26.02 NumAromaticRings: 1
AD15450
Formula: C9H13N3

Smiles:
c1ccc(N2CCNCC2)nc1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.44
AlogP: 0.49 Num_rotatable_bonds: 1
MolWt: 163.22 Num_heavy_atoms: 12
TPSA: 28.16 NumAromaticRings: 1

Sugarmoiety
SD00169

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