Glycoside
GD082187
Name:
NoneFormula:
C19H28O7N4Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2cccc(N3CCCNC(=O)C3)n2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C1CN(c2cccc(C(=O)NCCO)n2)CCCN1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 424.45 | Num_heavy_atoms: | 30 |
| TPSA: | 153.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD36907
Formula: C13H18O3N4
Smiles:
O=C1CN(c2cccc(C(=O)NCCO)n2)CCCN1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 278.31 | Num_heavy_atoms: | 20 |
| TPSA: | 94.56 | NumAromaticRings: | 1 |
