Glycoside
GD112089
Name:
NoneFormula:
C34H32O9N2Smiles:
Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](OC(=O)c3ccc(C)cc3)[C@H]2OC(=O)c2ccc(C)cc2)cc1Aglycone:
COC(=O)c1ccc(C)cc1.Cc1c[nH]c(=O)[nH]c1=O.Cc1ccc(C(=O)O)cc1.Cc1ccc(C(=O)O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.26 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 8 |
| MolWt: | 612.64 | Num_heavy_atoms: | 45 |
| TPSA: | 142.99 | NumAromaticRings: | 4 |
Unique Aglycone
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD00492
Formula: C8H8O2
Smiles:
Cc1ccc(C(=O)O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD04171
Formula: C9H10O2
Smiles:
COC(=O)c1ccc(C)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
