Glycoside
GD121904
Name:
[6-({19-ethenyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹â°.0â´,â¹.0¹âµ,²â°]henicosa-2(10),4,6,8,15-pentaen-18-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoateFormula:
C36H38O11N2Smiles:
C=CC1C(OC2OC(COC(=O)C=Cc3ccc(OC)c(O)c3)C(O)C(O)C2O)OC=C2C(=O)N3CCc4c([nH]c5ccccc45)C3CC21Aglycone:
C=CC1C(O)OC=C2C(=O)N3CCc4c([nH]c5ccccc45)C3CC21.COC(=O)C=Cc1ccc(OC)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 674.7 | Num_heavy_atoms: | 49 |
| TPSA: | 180.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD05340
Formula: C20H20O3N2
Smiles:
C=CC1C(O)OC=C2C(=O)N3CCc4c([nH]c5ccccc45)C3CC21| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.35 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 1 |
| MolWt: | 336.39 | Num_heavy_atoms: | 25 |
| TPSA: | 65.56 | NumAromaticRings: | 2 |
AD06791
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(OC)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
