Glycoside
GD138070
Name:
1-(1-hydroxy-6-methoxy-3-methyl-8-{[3,4,5-trihydroxy-6-(1-hydroxy-3-phenylpropyl)oxan-2-yl]oxy}naphthalen-2-yl)butan-1-oneFormula:
C30H36O9Smiles:
CCCC(=O)c1c(C)cc2cc(OC)cc(OC3OC(C(O)CCc4ccccc4)C(O)C(O)C3O)c2c1OAglycone:
CCCC(=O)c1c(C)cc2cc(OC)cc(O)c2c1O.OCCCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 10 |
| MolWt: | 540.61 | Num_heavy_atoms: | 39 |
| TPSA: | 145.91 | NumAromaticRings: | 3 |
Unique Aglycone
AD01225
Formula: C9H12O
Smiles:
OCCCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 136.19 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD45993
Formula: C16H18O4
Smiles:
CCCC(=O)c1c(C)cc2cc(OC)cc(O)c2c1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.32 | Num_heavy_atoms: | 20 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
