Glycoside
GD114989
Name:
1-hydroxy-8-methoxy-2-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-9,10-dihydroanthracene-9,10-dioneFormula:
C22H22O9Smiles:
COc1cccc2c1C(=O)c1c(cc(OC3OC(C)C(O)C(O)C3O)c(C)c1O)C2=OAglycone:
COc1cccc2c1C(=O)c1c(cc(O)c(C)c1O)C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 430.41 | Num_heavy_atoms: | 31 |
| TPSA: | 142.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD45400
Formula: C16H12O5
Smiles:
COc1cccc2c1C(=O)c1c(cc(O)c(C)c1O)C2=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 |
