Glycoside
GD135662
Name:
NoneFormula:
C34H33O13N2Smiles:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(OC5OC(C(=O)O)C(O)C(O)C5O)c(OCc5cccc(O)c5)c4O)O3)cc2)=N1Aglycone:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(O)c(OCc5cccc(O)c5)c4O)O3)cc2)=N1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.26 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 11 |
| MolWt: | 677.64 | Num_heavy_atoms: | 49 |
| TPSA: | 243.21 | NumAromaticRings: | 3 |
Unique Aglycone
AD54856
Formula: C28H25O7N2
Smiles:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(O)c(OCc5cccc(O)c5)c4O)O3)cc2)=N1| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.14 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 501.52 | Num_heavy_atoms: | 37 |
| TPSA: | 146.99 | NumAromaticRings: | 3 |
