Glycoside
...
GD141336

Name:
A-40926 B

Formula:
C85H88O29N8Cl2

Smiles:
CNC1C(O)=NC2Cc3ccc(cc3)Oc3cc4cc(c3OC3OC(C(=O)O)C(O)C(O)C3N=C(O)CCCCCCCCC(C)C)Oc3ccc(cc3Cl)C(O)C3N=C(O)C(N=C(O)C4N=C(O)C(N=C2O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(OC2OC(CO)C(O)C(O)C2O)cc(O)cc1C(C(=O)O)N=C3O

Aglycone:
CC(C)CCCCCCCCC(=N)O.CNC1C(O)=NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3N=C(O)C(N=C(O)C4N=C(O)C(N=C2O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)N=C3O

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

Other Identifiers

Properties
HBA: 37 RingCount: 15
HBD: 21 FractionCSP3: 0.39
AlogP: 10.07 Num_rotatable_bonds: 18
MolWt: 1732.55 Num_heavy_atoms: 122
TPSA: 601.9 NumAromaticRings: 7

Unique Aglycone
AD45350
Formula: C61H47O18N7Cl2

Smiles:
CNC1C(O)=NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3N=C(O)C(N=C(O)C4N=C(O)C(N=C2O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)O)N=C3O
HBA: 25 RingCount: 13
HBD: 15 FractionCSP3: 0.17
AlogP: 10.29 Num_rotatable_bonds: 2
MolWt: 1212.96 Num_heavy_atoms: 86
TPSA: 414.17 NumAromaticRings: 7
AD49097
Formula: C12H25ON

Smiles:
CC(C)CCCCCCCCC(=N)O
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.92
AlogP: 4.3 Num_rotatable_bonds: 9
MolWt: 199.34 Num_heavy_atoms: 14
TPSA: 44.08 NumAromaticRings: 0

Sugarmoiety
SD00227

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