Glycoside
...
GD025699

Name:
None

Formula:
C84H74O28N8Cl2

Smiles:
CN[C@@H]1C(=O)N[C@@H]2Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3OC(C(=O)O)C(O)[C@H](O)C3NCc3ccc5ccccc5c3)Oc3ccc(cc3Cl)[C@H](O)C3NC(=O)[C@H](NC(=O)[C@H]4NC(=O)[C@H](NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(O)cc1[C@H](C(=O)O)NC3=O

Aglycone:
CNC1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O.NCc1ccc2ccccc2c1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 36 RingCount: 17
HBD: 21 FractionCSP3: 0.27
AlogP: 3.23 Num_rotatable_bonds: 11
MolWt: 1690.43 Num_heavy_atoms: 120
TPSA: 560.4 NumAromaticRings: 9

Unique Aglycone
AD01031
Formula: C61H47O18N7Cl2

Smiles:
CNC1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)NC3=O
HBA: 25 RingCount: 13
HBD: 15 FractionCSP3: 0.17
AlogP: 5.25 Num_rotatable_bonds: 2
MolWt: 1212.96 Num_heavy_atoms: 86
TPSA: 393.23 NumAromaticRings: 7
AD06270
Formula: C11H11N

Smiles:
NCc1ccc2ccccc2c1
HBA: 1 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.3 Num_rotatable_bonds: 1
MolWt: 157.22 Num_heavy_atoms: 12
TPSA: 26.02 NumAromaticRings: 2

Sugarmoiety
SD00227

O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O