Glycoside
...
GD024932

Name:
None

Formula:
C27H29O4N5S

Smiles:
Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@H](O)C(=O)N2CCCC2c2ccccn2)s1

Aglycone:
Cc1nc2ccccc2n1Cc1ccc(CN)s1.c1ccc(C2CCCN2)nc1

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

Other Identifiers

Properties
HBA: 9 RingCount: 5
HBD: 3 FractionCSP3: 0.33
AlogP: 2.55 Num_rotatable_bonds: 8
MolWt: 519.63 Num_heavy_atoms: 37
TPSA: 120.58 NumAromaticRings: 4

Unique Aglycone
AD07818
Formula: C14H15N3S

Smiles:
Cc1nc2ccccc2n1Cc1ccc(CN)s1
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.21
AlogP: 2.91 Num_rotatable_bonds: 3
MolWt: 257.36 Num_heavy_atoms: 18
TPSA: 43.84 NumAromaticRings: 3
AD11530
Formula: C9H12N2

Smiles:
c1ccc(C2CCCN2)nc1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.44
AlogP: 1.51 Num_rotatable_bonds: 1
MolWt: 148.21 Num_heavy_atoms: 11
TPSA: 24.92 NumAromaticRings: 1

Sugarmoiety
SD00169

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