Glycoside
...
GD030583

Name:
None

Formula:
C103H88O28N10Cl2

Smiles:
CN(Cc1cn(-c2ccccc2)c2ccccc12)[C@@H]1C(=O)N[C@@H]2Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3OC(C(=O)O)C(O)[C@H](O)C3NCc3cn(-c5ccccc5)c5ccccc35)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:
CN(Cc1cn(-c2ccccc2)c2ccccc12)C1C(=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.NCc1cn(-c2ccccc2)c2ccccc12

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

Other Identifiers

Properties
HBA: 38 RingCount: 21
HBD: 20 FractionCSP3: 0.23
AlogP: 7.88 Num_rotatable_bonds: 15
MolWt: 1960.76 Num_heavy_atoms: 141
TPSA: 561.47 NumAromaticRings: 13

Unique Aglycone
AD06251
Formula: C15H14N2

Smiles:
NCc1cn(-c2ccccc2)c2ccccc12
HBA: 2 RingCount: 3
HBD: 2 FractionCSP3: 0.07
AlogP: 3.09 Num_rotatable_bonds: 2
MolWt: 222.29 Num_heavy_atoms: 17
TPSA: 30.95 NumAromaticRings: 3
AD19788
Formula: C76H58O18N8Cl2

Smiles:
CN(Cc1cn(-c2ccccc2)c2ccccc12)C1C(=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: 26 RingCount: 16
HBD: 14 FractionCSP3: 0.15
AlogP: 9.1 Num_rotatable_bonds: 5
MolWt: 1418.22 Num_heavy_atoms: 102
TPSA: 389.37 NumAromaticRings: 10

Sugarmoiety
SD00227

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