Glycoside
GD137074
Name:
1,4-dihydroxy-2-methoxy-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,8,8a,9,9a,10,10a-dodecahydroanthracene-9,10-dioneFormula:
C22H32O11Smiles:
COC1C(C)C(O)C2C(=O)C3C(OC4OC(CO)C(O)C(O)C4O)C=CCC3C(=O)C2C1OAglycone:
COC1C(C)C(O)C2C(=O)C3C(O)C=CCC3C(=O)C2C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 472.49 | Num_heavy_atoms: | 33 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD55395
Formula: C16H22O6
Smiles:
COC1C(C)C(O)C2C(=O)C3C(O)C=CCC3C(=O)C2C1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 310.35 | Num_heavy_atoms: | 22 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
