Glycoside
GD102098
Name:
NoneFormula:
C25H36O8N2Smiles:
Cc1ccc2c(c1)[C@H](NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC21CCN(C(=O)OC(C)(C)C)CC1Aglycone:
Cc1ccc2c(c1)C(N)CC21CCN(C(=O)OC(C)(C)C)CC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.57 | Num_heavy_atoms: | 35 |
| TPSA: | 156.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD43209
Formula: C19H28O2N2
Smiles:
Cc1ccc2c(c1)C(N)CC21CCN(C(=O)OC(C)(C)C)CC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.63 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 0 |
| MolWt: | 316.45 | Num_heavy_atoms: | 23 |
| TPSA: | 55.56 | NumAromaticRings: | 1 |
