Glycoside
GD013179
Name:
NoneFormula:
C14H21O7N3Smiles:
NC[C@@H]1O[C@H](OC[C@@H]2CC[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@H]1OAglycone:
O=c1ccn(C2CCC(CO)O2)c(=O)[nH]1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | -2.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 343.34 | Num_heavy_atoms: | 24 |
| TPSA: | 149.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD09872
Formula: C9H12O4N2
Smiles:
O=c1ccn(C2CCC(CO)O2)c(=O)[nH]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 2 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 84.32 | NumAromaticRings: | 1 |
