Glycoside
GD129405
Name:
1-hydroxy-3-({spiro[4.5]decan-8-yl}methyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,9,9a,10-tetrahydroanthracene-9,10-dioneFormula:
C31H38O9Smiles:
O=C1c2cccc(OC3OC(CO)C(O)C(O)C3O)c2C(=O)C2C(O)=CC(CC3CCC4(CCCC4)CC3)=CC12Aglycone:
O=C1c2cccc(O)c2C(=O)C2C(O)=CC(CC3CCC4(CCCC4)CC3)=CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 554.64 | Num_heavy_atoms: | 40 |
| TPSA: | 153.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD52425
Formula: C25H28O4
Smiles:
O=C1c2cccc(O)c2C(=O)C2C(O)=CC(CC3CCC4(CCCC4)CC3)=CC12| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.52 |
| AlogP: | 5.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 392.5 | Num_heavy_atoms: | 29 |
| TPSA: | 74.6 | NumAromaticRings: | 1 |
