Glycoside
GD013938
Name:
methyl 3-(3-methylbut-2-en-1-yl)-1,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})naphthalene-2-carboxylateFormula:
C29H38O14Smiles:
COC(=O)c1c(CC=C(C)C)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2ccccc2c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COC(=O)c1c(CC=C(C)C)c(O)c2ccccc2c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 610.61 | Num_heavy_atoms: | 43 |
| TPSA: | 225.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD10332
Formula: C17H18O4
Smiles:
COC(=O)c1c(CC=C(C)C)c(O)c2ccccc2c1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.33 | Num_heavy_atoms: | 21 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
