Glycoside
GD130812
Name:
Ra-XiiiFormula:
C48H60O16N6Smiles:
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(CCC(=O)O)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(CCC(=O)O)C(=O)N2C)N(C)C3=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 977.03 | Num_heavy_atoms: | 70 |
| TPSA: | 313.84 | NumAromaticRings: | 3 |
Unique Aglycone
AD53001
Formula: C42H50O11N6
Smiles:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)CC(C(O)=NC(C)C(O)=NC(CCC(=O)O)C(=O)N2C)N(C)C3=O)cc1| HBA: | 17 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 814.89 | Num_heavy_atoms: | 59 |
| TPSA: | 234.69 | NumAromaticRings: | 3 |
