Glycoside
GD100339
Name:
NoneFormula:
C27H37O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CN(Cc3ccccc3)CCN2Cc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1CN(Cc2ccccc2)CCN1Cc1ccccc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 9 |
| MolWt: | 499.61 | Num_heavy_atoms: | 36 |
| TPSA: | 114.73 | NumAromaticRings: | 2 |
Unique Aglycone
AD42396
Formula: C21H27O2N3
Smiles:
O=C(NCCO)C1CN(Cc2ccccc2)CCN1Cc1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 353.47 | Num_heavy_atoms: | 26 |
| TPSA: | 55.81 | NumAromaticRings: | 2 |
