Glycoside
GD073506
Name:
NoneFormula:
C17H24O7N4Smiles:
Cn1cc(N2C[C@]3(CCN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C3)CC2=O)cn1Aglycone:
Cn1cc(N2CC3(CCNC3)CC2=O)cn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -2.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 396.4 | Num_heavy_atoms: | 28 |
| TPSA: | 156.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD34060
Formula: C11H16ON4
Smiles:
Cn1cc(N2CC3(CCNC3)CC2=O)cn1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 220.28 | Num_heavy_atoms: | 16 |
| TPSA: | 50.16 | NumAromaticRings: | 1 |
