Glycoside
GD012822
Name:
NoneFormula:
C28H32O9N4Smiles:
NC[C@@H]1O[C@H](O[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]2C[C@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@H]1OAglycone:
O=C(NCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1)c1ccc(-c2ccccc2)cc1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 568.58 | Num_heavy_atoms: | 41 |
| TPSA: | 198.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD09633
Formula: C23H23O6N3
Smiles:
O=C(NCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1)c1ccc(-c2ccccc2)cc1| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.26 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 437.45 | Num_heavy_atoms: | 32 |
| TPSA: | 133.65 | NumAromaticRings: | 3 |
