Glycoside

GD140897
Name:
[3,4,5-tris(acetyloxy)-6-{[19-(acetyloxy)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0â´,â¹.0¹âµ,²â°]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-8-yl]oxy}oxan-2-yl]methyl acetateFormula:
C36H36O15N2Smiles:
CCC1(OC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(OC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)cccc3nc2-1Aglycone:
CCC1(OC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(O)cccc3nc2-1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 17 | RingCount: | 6 |
HBD: | 0 | FractionCSP3: | 0.44 |
AlogP: | 2.11 | Num_rotatable_bonds: | 9 |
MolWt: | 736.68 | Num_heavy_atoms: | 53 |
TPSA: | 211.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=OHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.67 |
AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
MolWt: | 74.08 | Num_heavy_atoms: | 5 |
TPSA: | 26.3 | NumAromaticRings: | 0 |
AD56800
Formula: C22H18O6N2
Smiles:
CCC1(OC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(O)cccc3nc2-1HBA: | 8 | RingCount: | 5 |
HBD: | 1 | FractionCSP3: | 0.27 |
AlogP: | 2.36 | Num_rotatable_bonds: | 2 |
MolWt: | 406.39 | Num_heavy_atoms: | 30 |
TPSA: | 107.72 | NumAromaticRings: | 3 |