Glycoside
GD032545
Name:
ASPERGILLUSOL AFormula:
C22H24O10N2Smiles:
O=C(OC[C@H](O)[C@H](O)COC(=O)C(Cc1ccc(O)cc1)=NO)C(Cc1ccc(O)cc1)=NOAglycone:
O=CC(Cc1ccc(O)cc1)=NO.O=CC(Cc1ccc(O)cc1)=NOSugarmoiety:
OOCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.27 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 11 |
| MolWt: | 476.44 | Num_heavy_atoms: | 34 |
| TPSA: | 198.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD20865
Formula: C9H9O3N
Smiles:
O=CC(Cc1ccc(O)cc1)=NO| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.17 | Num_heavy_atoms: | 13 |
| TPSA: | 69.89 | NumAromaticRings: | 1 |
