Glycoside
GD075415
Name:
NoneFormula:
C18H24O8N2Smiles:
C[C@@H]1Oc2cc(C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)ccc2NC1=OAglycone:
CC1Oc2cc(C(=O)NCCO)ccc2NC1=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 396.4 | Num_heavy_atoms: | 28 |
| TPSA: | 146.58 | NumAromaticRings: | 1 |
Unique Aglycone
AD34925
Formula: C12H14O4N2
Smiles:
CC1Oc2cc(C(=O)NCCO)ccc2NC1=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 250.25 | Num_heavy_atoms: | 18 |
| TPSA: | 87.66 | NumAromaticRings: | 1 |
