Glycoside
GD140324
Name:
methyl 15-hydroxy-17-{[3,5,6-trihydroxy-4-(hydroxymethyl)oxan-2-yl]oxy}-18-oxa-3,13-diazapentacyclo[11.9.0.0²,¹â°.0â´,â¹.0¹â¶,²¹]docosa-2(10),4,6,8,19-pentaene-20-carboxylateFormula:
C27H34O10N2Smiles:
COC(=O)C1=COC(OC2OC(O)C(O)C(CO)C2O)C2C(O)CN3CCc4c([nH]c5ccccc45)C3CC12Aglycone:
COC(=O)C1=COC(O)C2C(O)CN3CCc4c([nH]c5ccccc45)C3CC12Sugarmoiety:
OCC1C(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 546.57 | Num_heavy_atoms: | 39 |
| TPSA: | 174.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD17725
Formula: C21H24O5N2
Smiles:
COC(=O)C1=COC(O)C2C(O)CN3CCc4c([nH]c5ccccc45)C3CC12| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 384.43 | Num_heavy_atoms: | 28 |
| TPSA: | 95.02 | NumAromaticRings: | 2 |
