Glycoside
GD155495
Name:
Chrymutasin CFormula:
C39H43O17NSmiles:
COC1C(O)C(C)OC(OC2C(OC3C(Oc4cccc5c(O)c6c(=N)c(=O)c7ccc(C)c8c(=O)oc(c45)c6c78)OC(C)C(O)C3O)OC(C)C(O)C2O)C1OAglycone:
Cc1ccc2c(=O)c(=N)c3c(O)c4cccc(O)c4c4oc(=O)c1c2c34Sugarmoiety:
COC1C(O)C(C)OC(OC2C(OC3C(O)OC(C)C(O)C3O)OC(C)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.51 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 797.76 | Num_heavy_atoms: | 57 |
| TPSA: | 277.35 | NumAromaticRings: | 5 |
Unique Aglycone
AD56468
Formula: C20H11O5N
Smiles:
Cc1ccc2c(=O)c(=N)c3c(O)c4cccc(O)c4c4oc(=O)c1c2c34| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 345.31 | Num_heavy_atoms: | 26 |
| TPSA: | 111.59 | NumAromaticRings: | 5 |
