Glycoside
GD156322
Name:
19-ethenyl-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹â°.0â´,â¹.0¹âµ,²â°]henicosa-2(10),4,6,8,15-pentaene-12-carboxylic acidFormula:
C27H32O9N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2CN3C(C(=O)O)Cc4c([nH]c5ccccc45)C3CC21Aglycone:
C=CC1C(O)OC=C2CN3C(C(=O)O)Cc4c([nH]c5ccccc45)C3CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 528.56 | Num_heavy_atoms: | 38 |
| TPSA: | 164.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD61913
Formula: C21H22O4N2
Smiles:
C=CC1C(O)OC=C2CN3C(C(=O)O)Cc4c([nH]c5ccccc45)C3CC21| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 366.42 | Num_heavy_atoms: | 27 |
| TPSA: | 85.79 | NumAromaticRings: | 2 |
