Glycoside
GD142891
Name:
methyl 16-methyl-8-{[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(9),5,7,18-pentaene-19-carboxylateFormula:
C27H34O9N2Smiles:
COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5cccc(OC6OC(CO)C(O)C(O)C6O)c45)C3CC12Aglycone:
COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5cccc(O)c45)C3CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 530.57 | Num_heavy_atoms: | 38 |
| TPSA: | 153.94 | NumAromaticRings: | 2 |
Unique Aglycone
AD57493
Formula: C21H24O4N2
Smiles:
COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5cccc(O)c45)C3CC12| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.48 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 368.43 | Num_heavy_atoms: | 27 |
| TPSA: | 74.79 | NumAromaticRings: | 2 |
