Glycoside
...
GD130369

Name:
Mm 55266

Formula:
C91H89O35N8Cl5

Smiles:
CNC1C(O)=NC2C(O)=NC(C(O)=NC3C(O)=NC4C(O)=NC(C(O)=NC(C(=O)O)c5cc(O)cc(O)c5-c5cc4cc(Cl)c5OC4OC(CO)C(O)C(O)C4O)C(OC4OC(C(=O)O)C(O)C(O)C4N=C(O)CCCCCC(C)C)c4cc(Cl)c(c(Cl)c4)Oc4cc3cc(c4OC3OC(CO)C(O)C(O)C3O)Oc3ccc(cc3Cl)C2O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O

Aglycone:
CC(C)CCCCCC(=N)O.CNC1C(O)=NC2C(O)=NC(C(O)=NC3C(O)=NC4C(O)=NC(C(O)=NC(C(=O)O)c5cc(O)cc(O)c5-c5cc4cc(Cl)c5O)C(O)c4cc(Cl)c(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)C2O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O

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

Other Identifiers

Properties
HBA: 43 RingCount: 16
HBD: 25 FractionCSP3: 0.41
AlogP: 8.17 Num_rotatable_bonds: 18
MolWt: 1971.94 Num_heavy_atoms: 134
TPSA: 701.28 NumAromaticRings: 7

Unique Aglycone
AD50348
Formula: C64H44O19N7Cl5

Smiles:
CNC1C(O)=NC2C(O)=NC(C(O)=NC3C(O)=NC4C(O)=NC(C(O)=NC(C(=O)O)c5cc(O)cc(O)c5-c5cc4cc(Cl)c5O)C(O)c4cc(Cl)c(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)C2O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O
HBA: 26 RingCount: 13
HBD: 16 FractionCSP3: 0.17
AlogP: 11.74 Num_rotatable_bonds: 2
MolWt: 1332.3 Num_heavy_atoms: 90
TPSA: 434.4 NumAromaticRings: 7
AD52831
Formula: C9H19ON

Smiles:
CC(C)CCCCCC(=N)O
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.89
AlogP: 3.13 Num_rotatable_bonds: 6
MolWt: 157.26 Num_heavy_atoms: 11
TPSA: 44.08 NumAromaticRings: 0

Sugarmoiety
SD04306

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