Glycoside
GD132781
Name:
NoneFormula:
C33H37O13N2Smiles:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(OC5OC(C(=O)O)C(O)C(O)C5O)c(OC5(O)CCCCC5)c4O)O3)cc2)=N1Aglycone:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(O)c(OC5(O)CCCCC5)c4O)O3)cc2)=N1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.42 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 10 |
| MolWt: | 669.66 | Num_heavy_atoms: | 48 |
| TPSA: | 243.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD53755
Formula: C27H29O7N2
Smiles:
NC1=C[CH+]C(CCOc2ccc(C3C=C(O)c4c(cc(O)c(OC5(O)CCCCC5)c4O)O3)cc2)=N1| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 493.54 | Num_heavy_atoms: | 36 |
| TPSA: | 146.99 | NumAromaticRings: | 2 |
