Glycoside
GD145870
Name:
NoneFormula:
C32H35O12N2Smiles:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(OC5OC(C(=O)O)C(O)C(O)C5O)c(OC5CCCC5)c4O)O3)cc2)=N1Aglycone:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(O)c(OC5CCCC5)c4O)O3)cc2)=N1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.41 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 10 |
| MolWt: | 639.63 | Num_heavy_atoms: | 46 |
| TPSA: | 222.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD50757
Formula: C26H27O6N2
Smiles:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(O)c(OC5CCCC5)c4O)O3)cc2)=N1| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 463.51 | Num_heavy_atoms: | 34 |
| TPSA: | 126.76 | NumAromaticRings: | 2 |
