Glycoside
...
GD119528

Name:
Kibdelin B

Formula:
C86H86O29N8Cl4

Smiles:
CNC1C(O)=NC2C(O)=NC(C(O)=NC3C(O)=NC4C(O)=NC(C(O)=NC(C(=O)O)c5cc(O)cc(OC6OC(CO)C(O)C(O)C6O)c5-c5cc4ccc5O)C(O)c4cc(Cl)c(c(Cl)c4)Oc4cc3cc(c4OC3OC(CO)C(O)C(O)C3N=C(O)CCCCCCCC(C)C)Oc3ccc(cc3Cl)C2O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O

Aglycone:
CC(C)CCCCCCCC(=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-c5cc4ccc5O)C(O)c4cc(Cl)c(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)C2O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O

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

Other Identifiers

Properties
HBA: 37 RingCount: 15
HBD: 22 FractionCSP3: 0.39
AlogP: 10.38 Num_rotatable_bonds: 17
MolWt: 1789.43 Num_heavy_atoms: 123
TPSA: 605.06 NumAromaticRings: 7

Unique Aglycone
AD45245
Formula: C63H45O19N7Cl4

Smiles:
CNC1C(O)=NC2C(O)=NC(C(O)=NC3C(O)=NC4C(O)=NC(C(O)=NC(C(=O)O)c5cc(O)cc(O)c5-c5cc4ccc5O)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: 11.08 Num_rotatable_bonds: 2
MolWt: 1297.85 Num_heavy_atoms: 89
TPSA: 434.4 NumAromaticRings: 7
AD47906
Formula: C11H23ON

Smiles:
CC(C)CCCCCCCC(=N)O
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.91
AlogP: 3.91 Num_rotatable_bonds: 8
MolWt: 185.31 Num_heavy_atoms: 13
TPSA: 44.08 NumAromaticRings: 0

Sugarmoiety
SD00019

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O