Glycoside
...
GD098195

Name:
None

Formula:
C23H28O7N3Cl

Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H](c1ccco1)N1CCN(c2ccc(Cl)cc2)CC1

Aglycone:
NC(=O)C(c1ccco1)N1CCN(c2ccc(Cl)cc2)CC1

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

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 5 FractionCSP3: 0.5
AlogP: -0.29 Num_rotatable_bonds: 6
MolWt: 481.93 Num_heavy_atoms: 33
TPSA: 138.87 NumAromaticRings: 2

Unique Aglycone
AD41782
Formula: C17H18O2N3Cl

Smiles:
NC(=O)C(c1ccco1)N1CCN(c2ccc(Cl)cc2)CC1
HBA: 5 RingCount: 3
HBD: 2 FractionCSP3: 0.31
AlogP: 2.28 Num_rotatable_bonds: 4
MolWt: 319.79 Num_heavy_atoms: 22
TPSA: 62.71 NumAromaticRings: 2

Sugarmoiety
SD00003

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