Glycoside
GD110187
Name:
NoneFormula:
C29H28O7N2Smiles:
COc1ccc(C(O[C@H]2CO[C@@H](n3ccc(=O)[nH]c3=O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1Aglycone:
COc1ccc(C(O)(c2ccccc2)c2ccc(OC)cc2)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 516.55 | Num_heavy_atoms: | 38 |
| TPSA: | 112.01 | NumAromaticRings: | 4 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD44523
Formula: C21H20O3
Smiles:
COc1ccc(C(O)(c2ccccc2)c2ccc(OC)cc2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 320.39 | Num_heavy_atoms: | 24 |
| TPSA: | 38.69 | NumAromaticRings: | 3 |
