Glycoside
GD155875
Name:
Rubiyunnanin FFormula:
C48H61O15N7Smiles:
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(=N)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(=N)O)C(=O)N2C)N(C)C3=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.48 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 9 |
| MolWt: | 976.05 | Num_heavy_atoms: | 70 |
| TPSA: | 320.62 | NumAromaticRings: | 3 |
Unique Aglycone
AD61776
Formula: C42H51O10N7
Smiles:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)CC(C(O)=NC(C)C(O)=NC(CCC(=N)O)C(=O)N2C)N(C)C3=O)cc1| HBA: | 17 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 4.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 813.91 | Num_heavy_atoms: | 59 |
| TPSA: | 241.47 | NumAromaticRings: | 3 |
