Glycoside
GD114251
Name:
NoneFormula:
C34H32O13N2Smiles:
Nc1ccc(CCOc2ccc(-c3cc(=O)c4c(O)c(OCc5cccc(O)c5)c(OC5OC(C(=O)O)C(O)C(O)C5O)cc4o3)cc2)[nH]1Aglycone:
Nc1ccc(CCOc2ccc(-c3cc(=O)c4c(O)c(OCc5cccc(O)c5)c(O)cc4o3)cc2)[nH]1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.24 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 11 |
| MolWt: | 676.63 | Num_heavy_atoms: | 49 |
| TPSA: | 247.39 | NumAromaticRings: | 5 |
Unique Aglycone
AD44935
Formula: C28H24O7N2
Smiles:
Nc1ccc(CCOc2ccc(-c3cc(=O)c4c(O)c(OCc5cccc(O)c5)c(O)cc4o3)cc2)[nH]1| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.11 |
| AlogP: | 4.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 500.51 | Num_heavy_atoms: | 37 |
| TPSA: | 151.17 | NumAromaticRings: | 5 |
