Glycoside
GD106422
Name:
NoneFormula:
C29H40O11N2Smiles:
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]2O)C[C@@H]2CCC[C@@H]21Aglycone:
CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1C(C(=O)O)CC2CCCC21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.66 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 11 |
| MolWt: | 592.64 | Num_heavy_atoms: | 42 |
| TPSA: | 192.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD44177
Formula: C23H32O5N2
Smiles:
CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1C(C(=O)O)CC2CCCC21| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.61 |
| AlogP: | 2.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 416.52 | Num_heavy_atoms: | 30 |
| TPSA: | 95.94 | NumAromaticRings: | 1 |
