Glycoside
GD135076
Name:
Desmethylenehygromycin AFormula:
C22H29O12NSmiles:
CC(=O)C1OC(Oc2ccc(C=C(C)C(O)=NC3C(O)C(O)C(O)C(O)C3O)cc2O)C(O)C1OAglycone:
CC(=Cc1ccc(O)c(O)c1)C(O)=NC1C(O)C(O)C(O)C(O)C1OSugarmoiety:
CC(=O)C1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -2.65 | Num_rotatable_bonds: | 6 |
| MolWt: | 499.47 | Num_heavy_atoms: | 35 |
| TPSA: | 229.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD54629
Formula: C16H21O8N
Smiles:
CC(=Cc1ccc(O)c(O)c1)C(O)=NC1C(O)C(O)C(O)C(O)C1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 355.34 | Num_heavy_atoms: | 25 |
| TPSA: | 174.2 | NumAromaticRings: | 1 |
