Glycoside
GD151451
Name:
4,5,6-trihydroxy-15-methoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8,18-diazatetracyclo[9.7.0.0²,â¸.0¹²,¹â·]octadeca-1(11),12,14,16-tetraen-7-oneFormula:
C23H30O11N2Smiles:
COc1ccc2c3c([nH]c2c1)C1C(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C(O)C(=O)N1CC3Aglycone:
COc1ccc2c3c([nH]c2c1)C1C(O)C(O)C(O)C(O)C(=O)N1CC3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | -3.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 510.5 | Num_heavy_atoms: | 36 |
| TPSA: | 205.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD60403
Formula: C17H20O6N2
Smiles:
COc1ccc2c3c([nH]c2c1)C1C(O)C(O)C(O)C(O)C(=O)N1CC3| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 348.36 | Num_heavy_atoms: | 25 |
| TPSA: | 126.25 | NumAromaticRings: | 2 |
