Glycoside
GD145697
Name:
Macrosporin 2-O-(6′-Acetyl)-A-D-GlucopyranosideFormula:
C24H24O11Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(C)c(OC3OC(COC(C)=O)C(O)C(O)C3O)cc1C2=OAglycone:
COC(C)=O.COc1cc(O)c2c(c1)C(=O)c1cc(C)c(O)cc1C2=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.45 | Num_heavy_atoms: | 35 |
| TPSA: | 169.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD58461
Formula: C16H12O5
Smiles:
COc1cc(O)c2c(c1)C(=O)c1cc(C)c(O)cc1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 83.83 | NumAromaticRings: | 2 |
