Glycoside
...
GD005457

Name:
None

Formula:
C21H27O5N3S

Smiles:
COc1cccc(N2CCN(C(=O)[C@H](O)[C@H](O)C(=O)NCCc3cccs3)CC2)c1

Aglycone:
COc1cccc(N2CCNCC2)c1.NCCc1cccs1

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

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 3 FractionCSP3: 0.43
AlogP: 0.49 Num_rotatable_bonds: 8
MolWt: 433.53 Num_heavy_atoms: 30
TPSA: 102.34 NumAromaticRings: 2

Unique Aglycone
AD02148
Formula: C6H9NS

Smiles:
NCCc1cccs1
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.33
AlogP: 1.25 Num_rotatable_bonds: 2
MolWt: 127.21 Num_heavy_atoms: 8
TPSA: 26.02 NumAromaticRings: 1
AD04637
Formula: C11H16ON2

Smiles:
COc1cccc(N2CCNCC2)c1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.45
AlogP: 1.1 Num_rotatable_bonds: 2
MolWt: 192.26 Num_heavy_atoms: 14
TPSA: 24.5 NumAromaticRings: 1

Sugarmoiety
SD00169

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