Glycoside
...
GD036246

Name:
None

Formula:
C27H32O8N4S

Smiles:
Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c3ccccc3)cc2)cs1

Aglycone:
Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 8 FractionCSP3: 0.37
AlogP: 0.69 Num_rotatable_bonds: 12
MolWt: 572.64 Num_heavy_atoms: 40
TPSA: 196.49 NumAromaticRings: 3

Unique Aglycone
AD12995
Formula: C21H24O2N4S

Smiles:
Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
HBA: 6 RingCount: 3
HBD: 5 FractionCSP3: 0.24
AlogP: 2.77 Num_rotatable_bonds: 9
MolWt: 396.52 Num_heavy_atoms: 28
TPSA: 100.27 NumAromaticRings: 3

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O