Glycoside
GD123417
Name:
Chrymutasin CFormula:
C39H43O17NSmiles:
COC1C(O)C(C)OC(OC2C(OC3C(Oc4cccc5c(=O)c6c(N)c(=O)c7ccc(C)c8c(=O)oc(c-6c78)c45)OC(C)C(O)C3O)OC(C)C(O)C2O)C1OAglycone:
Cc1ccc2c(=O)c(N)c3c(=O)c4cccc(O)c4c4oc(=O)c1c2c4-3Sugarmoiety:
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: | -0.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 797.76 | Num_heavy_atoms: | 57 |
| TPSA: | 276.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD49801
Formula: C20H11O5N
Smiles:
Cc1ccc2c(=O)c(N)c3c(=O)c4cccc(O)c4c4oc(=O)c1c2c4-3| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 0 |
| MolWt: | 345.31 | Num_heavy_atoms: | 26 |
| TPSA: | 110.6 | NumAromaticRings: | 3 |
