Glycoside
GD084632
Name:
NoneFormula:
C21H30O7N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccc(C(=O)N3CCCCC3)cc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1ccc(C(=O)N2CCCCC2)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.48 | Num_heavy_atoms: | 30 |
| TPSA: | 128.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD37824
Formula: C15H20O3N2
Smiles:
O=C(NCCO)c1ccc(C(=O)N2CCCCC2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.47 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 276.34 | Num_heavy_atoms: | 20 |
| TPSA: | 69.64 | NumAromaticRings: | 1 |
