Glycoside
GD006089
Name:
NoneFormula:
C45H44O7N2Smiles:
Cc1ccc2ccc(C(=O)N[C@@H]3O[C@H](COCc4ccccc4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)c(O)c2n1Aglycone:
COCc1ccccc1.Cc1ccc2ccc(C(N)=O)c(O)c2n1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 7.68 | Num_rotatable_bonds: | 15 |
| MolWt: | 724.85 | Num_heavy_atoms: | 54 |
| TPSA: | 108.37 | NumAromaticRings: | 6 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD05068
Formula: C11H10O2N2
Smiles:
Cc1ccc2ccc(C(N)=O)c(O)c2n1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.09 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 202.21 | Num_heavy_atoms: | 15 |
| TPSA: | 76.21 | NumAromaticRings: | 2 |
