Glycoside
GD120105
Name:
19-ethenyl-16-hydroxy-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,13-diazapentacyclo[11.8.0.0²,¹â°.0â´,â¹.0¹âµ,²â°]henicosa-1(21),2(10),4,6,8,15-hexaen-14-oneFormula:
C27H30O8N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)CC(O)=C2C(=O)N3CCc4c([nH]c5ccccc45)C3=CC21Aglycone:
C=CC1C(O)CC(O)=C2C(=O)N3CCc4c([nH]c5ccccc45)C3=CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 510.54 | Num_heavy_atoms: | 37 |
| TPSA: | 155.71 | NumAromaticRings: | 2 |
Unique Aglycone
AD48208
Formula: C21H20O3N2
Smiles:
C=CC1C(O)CC(O)=C2C(=O)N3CCc4c([nH]c5ccccc45)C3=CC21| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 2.9 | Num_rotatable_bonds: | 1 |
| MolWt: | 348.4 | Num_heavy_atoms: | 26 |
| TPSA: | 76.56 | NumAromaticRings: | 2 |
