Glycoside
GD142589
Name:
4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-({[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino}methyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamideFormula:
C29H37O13N3Smiles:
CN(C)C1C(O)=C(C(O)=NCNC2C(O)OC(CO)C(O)C2O)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12Aglycone:
CN(C)C1C(O)=C(C(O)=NCN)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.55 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 635.62 | Num_heavy_atoms: | 45 |
| TPSA: | 273.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD57378
Formula: C23H27O8N3
Smiles:
CN(C)C1C(O)=C(C(O)=NCN)C(=O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3CC12| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.43 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 473.48 | Num_heavy_atoms: | 34 |
| TPSA: | 197.14 | NumAromaticRings: | 1 |
