Glycoside
GD005324
Name:
methyl 1-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-4'-[hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-5'-oxo-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylateFormula:
C29H32O15Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1C=C[C@@]21C=C([C@H](O)c2ccc(O)c(OC)c2)C(=O)O1Aglycone:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(O)c2ccc(O)c(OC)c2)C(=O)O1.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 620.56 | Num_heavy_atoms: | 44 |
| TPSA: | 216.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD04540
Formula: C21H20O9
Smiles:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(O)c2ccc(O)c(OC)c2)C(=O)O1| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 416.38 | Num_heavy_atoms: | 30 |
| TPSA: | 131.75 | NumAromaticRings: | 1 |
