Glycoside
GD145787
Name:
18-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-19-ethenyl-6-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹â°.0â´,â¹.0¹âµ,²â°]henicosa-2(10),4,6,8,15-pentaen-14-oneFormula:
C32H40O14N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)N3CCc4c([nH]c5cc(O)ccc45)C3CC21Aglycone:
C=CC1C(O)OC=C2C(=O)N3CCc4c([nH]c5cc(O)ccc45)C3CC21Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 7 |
| MolWt: | 676.67 | Num_heavy_atoms: | 48 |
| TPSA: | 244.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD19888
Formula: C20H20O4N2
Smiles:
C=CC1C(O)OC=C2C(=O)N3CCc4c([nH]c5cc(O)ccc45)C3CC21| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 352.39 | Num_heavy_atoms: | 26 |
| TPSA: | 85.79 | NumAromaticRings: | 2 |
