Glycoside
GD033408
Name:
NoneFormula:
C14H21O8N3Smiles:
NC[C@@H]1O[C@H](OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)C[C@H]2O)[C@H](O)[C@H]1OAglycone:
O=c1ccn(C2CC(O)C(CO)O2)c(=O)[nH]1Sugarmoiety:
NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -3.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 359.34 | Num_heavy_atoms: | 25 |
| TPSA: | 169.26 | NumAromaticRings: | 1 |
Unique Aglycone
AD21319
Formula: C9H12O5N2
Smiles:
O=c1ccn(C2CC(O)C(CO)O2)c(=O)[nH]1| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.2 | Num_heavy_atoms: | 16 |
| TPSA: | 104.55 | NumAromaticRings: | 1 |
