Glycoside

GD151215
Name:
[3,4,5-tris(acetyloxy)-6-({19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0â´,â¹.0¹âµ,²â°]henicosa-2,4,6,8,10,15-hexaen-18-yl}oxy)oxan-2-yl]methyl acetateFormula:
C34H36O12N2Smiles:
C=CC1C(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)OC=C2C(=O)N3Cc4cc5ccccc5nc4C3CC21Aglycone:
C=CC1C(O)OC=C2C(=O)N3Cc4cc5ccccc5nc4C3CC21.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
HBA: | 14 | RingCount: | 6 |
HBD: | 0 | FractionCSP3: | 0.47 |
AlogP: | 2.78 | Num_rotatable_bonds: | 8 |
MolWt: | 664.66 | Num_heavy_atoms: | 48 |
TPSA: | 166.09 | NumAromaticRings: | 2 |
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 |
AD46484
Formula: C20H18O3N2
Smiles:
C=CC1C(O)OC=C2C(=O)N3Cc4cc5ccccc5nc4C3CC21HBA: | 5 | RingCount: | 5 |
HBD: | 1 | FractionCSP3: | 0.3 |
AlogP: | 2.67 | Num_rotatable_bonds: | 1 |
MolWt: | 334.38 | Num_heavy_atoms: | 25 |
TPSA: | 62.66 | NumAromaticRings: | 2 |