Glycoside
...
GD006833

Name:
None

Formula:
C83H90O26N12Cl2

Smiles:
CN[C@@H]1C(=O)N[C@@H]2Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3OC(C(=O)NCCCN(C)C)C(O)[C@H](O)C3N)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)NCCCN(C)C)NC3=O

Aglycone:
CN(C)CCCNC=O.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)NCCCN(C)C)NC3=O

Sugarmoiety:
NC1C(O)OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 38 RingCount: 15
HBD: 22 FractionCSP3: 0.38
AlogP: 0.22 Num_rotatable_bonds: 16
MolWt: 1718.58 Num_heavy_atoms: 121
TPSA: 564.47 NumAromaticRings: 7

Unique Aglycone
AD03613
Formula: C66H59O17N9Cl2

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)NCCCN(C)C)NC3=O
HBA: 26 RingCount: 13
HBD: 15 FractionCSP3: 0.23
AlogP: 5.23 Num_rotatable_bonds: 6
MolWt: 1297.13 Num_heavy_atoms: 92
TPSA: 388.27 NumAromaticRings: 7
AD05077
Formula: C6H14ON2

Smiles:
CN(C)CCCNC=O
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.83
AlogP: -0.32 Num_rotatable_bonds: 5
MolWt: 130.19 Num_heavy_atoms: 9
TPSA: 32.34 NumAromaticRings: 0

Sugarmoiety
SD01179

NC1C(O)OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O