Glycoside
...
GD095024

Name:
None

Formula:
C21H25O7N3S

Smiles:
O=C(NCc1ccccc1)c1nc2c(s1)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC2

Aglycone:
O=C(NCc1ccccc1)c1nc2c(s1)CCNCC2

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 5 FractionCSP3: 0.43
AlogP: -1.36 Num_rotatable_bonds: 8
MolWt: 463.51 Num_heavy_atoms: 32
TPSA: 160.29 NumAromaticRings: 2

Unique Aglycone
AD40596
Formula: C15H17ON3S

Smiles:
O=C(NCc1ccccc1)c1nc2c(s1)CCNCC2
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.33
AlogP: 1.76 Num_rotatable_bonds: 3
MolWt: 287.39 Num_heavy_atoms: 20
TPSA: 54.02 NumAromaticRings: 2

Sugarmoiety
SD00818

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