Glycoside
...
GD004316

Name:
None

Formula:
C26H31O10N2ClS

Smiles:
O=C(N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1C[C@](O)(CO)C[C@H](O)[C@H]1O)c1cccnc1Sc1ccc(Cl)cc1

Aglycone:
NC(=O)c1cccnc1Sc1ccc(Cl)cc1.OCC1(O)CC(O)C(O)C(O)C1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 8 FractionCSP3: 0.52
AlogP: -0.95 Num_rotatable_bonds: 8
MolWt: 587.05 Num_heavy_atoms: 39
TPSA: 202.06 NumAromaticRings: 2

Unique Aglycone
AD03789
Formula: C13H9ON2ClS

Smiles:
NC(=O)c1cccnc1Sc1ccc(Cl)cc1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 2.99 Num_rotatable_bonds: 3
MolWt: 264.74 Num_heavy_atoms: 17
TPSA: 55.98 NumAromaticRings: 2
AD03790
Formula: C7H14O5

Smiles:
OCC1(O)CC(O)C(O)C(O)C1
HBA: 5 RingCount: 1
HBD: 5 FractionCSP3: 1.0
AlogP: -2.41 Num_rotatable_bonds: 1
MolWt: 178.18 Num_heavy_atoms: 12
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O