Glycoside
GD124913
Name:
13-hydroxy-4,9-dimethyl-13-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-6-oxatetracyclo[7.4.0.0³,â·.0¹â°,¹²]tridec-3-en-5-oneFormula:
C21H30O9Smiles:
CC1=C2CC3C(C)(CC2OC1=O)C1CC1C3(O)COC1OC(CO)C(O)C(O)C1OAglycone:
CC1=C2CC3C(C)(CC2OC1=O)C1CC1C3(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 426.46 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD50497
Formula: C15H20O4
Smiles:
CC1=C2CC3C(C)(CC2OC1=O)C1CC1C3(O)CO| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 264.32 | Num_heavy_atoms: | 19 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
