Glycoside
GD134885
Name:
methyl 17-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-18-oxa-3,13-diazahexacyclo[13.7.1.0¹,¹³.0²,¹â°.0â´,â¹.0¹â¶,²¹]tricosa-2(10),4,6,8,19-pentaene-20-carboxylateFormula:
C28H34O9N2Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C3CN4CCc5c([nH]c6ccccc56)C4(C3)CC12Aglycone:
COC(=O)C1=COC(O)C2C3CN4CCc5c([nH]c6ccccc56)C4(C3)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 542.59 | Num_heavy_atoms: | 39 |
| TPSA: | 153.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD54563
Formula: C22H24O4N2
Smiles:
COC(=O)C1=COC(O)C2C3CN4CCc5c([nH]c6ccccc56)C4(C3)CC12| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 380.44 | Num_heavy_atoms: | 28 |
| TPSA: | 74.79 | NumAromaticRings: | 2 |
