Glycoside
GD026897
Name:
methyl 14-(hydroxymethyl)-16-{[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),4,6,8,18-pentaene-19-carboxylateFormula:
C27H34O10N2Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1C[C@@H]1c3[nH]c4ccccc4c3CCN1[C@H]2COAglycone:
COC(=O)C1=COC(O)C2C1CC1c3[nH]c4ccccc4c3CCN1C2COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 546.57 | Num_heavy_atoms: | 39 |
| TPSA: | 174.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD17706
Formula: C21H24O5N2
Smiles:
COC(=O)C1=COC(O)C2C1CC1c3[nH]c4ccccc4c3CCN1C2CO| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 2 |
| MolWt: | 384.43 | Num_heavy_atoms: | 28 |
| TPSA: | 95.02 | NumAromaticRings: | 2 |
