Glycoside
GD145769
Name:
methyl 3-hydroxy-4-[1-(4-hydroxy-3-methoxyphenyl)ethylidene]-5-oxo-7'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3',8'-dioxaspiro[oxolane-2,5'-tricyclo[4.4.0.0²,â´]decan]-9'-ene-10'-carboxylateFormula:
C28H32O15Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C1OC1C21OC(=O)C(=C(C)c2ccc(O)c(OC)c2)C1OAglycone:
COC(=O)C1=COC(O)C2C1C1OC1C21OC(=O)C(=C(C)c2ccc(O)c(OC)c2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 608.55 | Num_heavy_atoms: | 43 |
| TPSA: | 223.43 | NumAromaticRings: | 1 |
Unique Aglycone
AD58491
Formula: C22H22O10
Smiles:
COC(=O)C1=COC(O)C2C1C1OC1C21OC(=O)C(=C(C)c2ccc(O)c(OC)c2)C1O| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 446.41 | Num_heavy_atoms: | 32 |
| TPSA: | 144.28 | NumAromaticRings: | 1 |
