Glycoside
...
GD037409

Name:
None

Formula:
C24H27O7N3S

Smiles:
COC(=O)c1ccc(-n2cc(CO[C@H]3[C@H](O)[C@@H](Sc4ccc(C)cc4)O[C@@H](CO)[C@H]3O)nn2)cc1

Aglycone:
COC(=O)c1ccc(-n2cc(CO)nn2)cc1.Cc1ccc(S)cc1

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 3 FractionCSP3: 0.38
AlogP: 1.48 Num_rotatable_bonds: 8
MolWt: 501.56 Num_heavy_atoms: 35
TPSA: 136.16 NumAromaticRings: 3

Unique Aglycone
AD17646
Formula: C7H8S

Smiles:
Cc1ccc(S)cc1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 0.14
AlogP: 2.28 Num_rotatable_bonds: 0
MolWt: 124.21 Num_heavy_atoms: 8
TPSA: 0.0 NumAromaticRings: 1
AD20263
Formula: C11H11O3N3

Smiles:
COC(=O)c1ccc(-n2cc(CO)nn2)cc1
HBA: 6 RingCount: 2
HBD: 1 FractionCSP3: 0.18
AlogP: 0.55 Num_rotatable_bonds: 3
MolWt: 233.23 Num_heavy_atoms: 17
TPSA: 77.24 NumAromaticRings: 2

Sugarmoiety
SD00003

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