Glycoside
GD156837
Name:
Rubiyunnanin HFormula:
C46H58O15N6Smiles:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4OC4OC(CO)C(O)C(O)C4O)C(O)C(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)C(O)C(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: | 21 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 935.0 | Num_heavy_atoms: | 67 |
| TPSA: | 296.77 | NumAromaticRings: | 3 |
Unique Aglycone
AD62059
Formula: C40H48O10N6
Smiles:
COc1ccc(CC2C(O)=NC(C)C(=O)N(C)C3Cc4ccc(cc4)Oc4cc(ccc4O)C(O)C(C(O)=NC(C)C(O)=NC(C)C(=O)N2C)N(C)C3=O)cc1| HBA: | 16 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 772.86 | Num_heavy_atoms: | 56 |
| TPSA: | 217.62 | NumAromaticRings: | 3 |
