Glycoside
GD149232
Name:
Ra XiiFormula:
C46H58O14N6Smiles:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4OC4OC(CO)C(O)C(O)C4O)CC(C(O)=NC(C)C(O)=NC(C)C(=O)N2C)N(C)C3=O)cc1Aglycone:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)CC(C(O)=NC(C)C(O)=NC(C)C(=O)N2C)N(C)C3=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 919.0 | Num_heavy_atoms: | 66 |
| TPSA: | 276.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD58885
Formula: C40H48O9N6
Smiles:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)CC(C(O)=NC(C)C(O)=NC(C)C(=O)N2C)N(C)C3=O)cc1| HBA: | 15 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 4.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 756.86 | Num_heavy_atoms: | 55 |
| TPSA: | 197.39 | NumAromaticRings: | 3 |
