Glycoside
GD004529
Name:
7-hydroxy-2,6-dimethyl-14-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4,11-dioxatetracyclo[6.3.3.0¹,â¸.0²,â¶]tetradec-13-ene-5,10-dioneFormula:
C21H28O11Smiles:
C[C@@]12COC(=O)[C@@]1(C)[C@H](O)[C@@]13CC(=O)O[C@@]12CC=C3CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12C(=O)OCC1(C)C13CC=C(CO)C1(CC(=O)O3)C2OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 4 |
| MolWt: | 456.44 | Num_heavy_atoms: | 32 |
| TPSA: | 172.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD03942
Formula: C15H18O6
Smiles:
CC12C(=O)OCC1(C)C13CC=C(CO)C1(CC(=O)O3)C2O| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 294.3 | Num_heavy_atoms: | 21 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
