Glycoside
...
GD023316

Name:
None

Formula:
C85H90O28N8Cl2

Smiles:
CCCCCCC(CCCC)CNC1[C@H](Oc2c3cc4cc2Oc2ccc(cc2Cl)[C@H](O)C2NC(=O)[C@H](NC(=O)[C@H]4NC(=O)[C@@H]4NC(=O)[C@H](Cc5ccc(cc5)O3)NC(=O)[C@H](NC)c3ccc(O)c(c3)Oc3cc(O)c(Cl)c4c3)c3ccc(O)c(c3)-c3c(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc(O)cc3[C@H](C(=O)O)NC2=O)OC(C(=O)O)C(O)[C@H]1O

Aglycone:
CCCCCCC(CN)CCCC.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

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

Other Identifiers

Properties
HBA: 36 RingCount: 15
HBD: 21 FractionCSP3: 0.4
AlogP: 4.66 Num_rotatable_bonds: 19
MolWt: 1718.57 Num_heavy_atoms: 121
TPSA: 560.4 NumAromaticRings: 7

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
AD15697
Formula: C12H27N

Smiles:
CCCCCCC(CN)CCCC
HBA: 1 RingCount: 0
HBD: 2 FractionCSP3: 1.0
AlogP: 3.72 Num_rotatable_bonds: 9
MolWt: 185.35 Num_heavy_atoms: 13
TPSA: 26.02 NumAromaticRings: 0

Sugarmoiety
SD00227

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