Glycoside
GD100318
Name:
NoneFormula:
C25H34O6N4Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cccnc2N2CCN(C)C[C@@H]2c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CN1CCN(c2ncccc2C(=O)NCCO)C(c2ccccc2)C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 486.57 | Num_heavy_atoms: | 35 |
| TPSA: | 127.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD42389
Formula: C19H24O2N4
Smiles:
CN1CCN(c2ncccc2C(=O)NCCO)C(c2ccccc2)C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 340.43 | Num_heavy_atoms: | 25 |
| TPSA: | 68.7 | NumAromaticRings: | 2 |
