Glycoside
GD079504
Name:
NoneFormula:
C21H34O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)C2([NH3+])CCN(Cc3ccccc3)CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
[NH3+]C1(C(=O)NCCO)CCN(Cc2ccccc2)CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 424.52 | Num_heavy_atoms: | 30 |
| TPSA: | 139.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD36344
Formula: C15H24O2N3
Smiles:
[NH3+]C1(C(=O)NCCO)CCN(Cc2ccccc2)CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 278.38 | Num_heavy_atoms: | 20 |
| TPSA: | 80.21 | NumAromaticRings: | 1 |
