Glycoside
...
GD011564

Name:
None

Formula:
C23H26O5N5ClS

Smiles:
NC(CCSC[C@@H]1O[C@H](n2ccc3c(NCc4cccc(Cl)c4)ncnc32)C(O)C1O)C(=O)O

Aglycone:
CSCCC(N)C(=O)O.Clc1cccc(CNc2ncnc3c2C=C[N]3)c1

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 6 FractionCSP3: 0.41
AlogP: 1.85 Num_rotatable_bonds: 10
MolWt: 508.0 Num_heavy_atoms: 34
TPSA: 155.75 NumAromaticRings: 3

Unique Aglycone
AD01546
Formula: C5H11O2NS

Smiles:
CSCCC(N)C(=O)O
HBA: 3 RingCount: 0
HBD: 3 FractionCSP3: 0.8
AlogP: 0.15 Num_rotatable_bonds: 4
MolWt: 149.22 Num_heavy_atoms: 9
TPSA: 63.32 NumAromaticRings: 0
AD08826
Formula: C14H10N4Cl

Smiles:
Clc1cccc(CNc2ncnc3c2C=C[N]3)c1
HBA: 4 RingCount: 3
HBD: 1 FractionCSP3: 0.08
AlogP: 2.96 Num_rotatable_bonds: 3
MolWt: 257.7 Num_heavy_atoms: 18
TPSA: 51.91 NumAromaticRings: 2

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O