Glycoside
GD092041
Name:
NoneFormula:
C22H32O7N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@H](c2cc3ccccc3o2)N2CC[C@H]([NH3+])C2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
[NH3+]C1CCN(C(C(=O)NCCO)c2cc3ccccc3o2)C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 450.51 | Num_heavy_atoms: | 32 |
| TPSA: | 152.27 | NumAromaticRings: | 2 |
Unique Aglycone
AD40174
Formula: C16H22O3N3
Smiles:
[NH3+]C1CCN(C(C(=O)NCCO)c2cc3ccccc3o2)C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 304.37 | Num_heavy_atoms: | 22 |
| TPSA: | 93.35 | NumAromaticRings: | 2 |
