Glycoside
GD142310
Name:
2-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-oxatricyclo[13.2.2.1³,â·]icosa-1(17),3(20),4,6,15,18-hexaen-12-yl)oxy]oxane-3,4,5-triolFormula:
C36H50O17Smiles:
OCC1OC(Oc2ccc3cc2Oc2ccc(cc2)CCC(OC2OC(COC4OCC(O)(CO)C4O)C(O)C(O)C2O)CCCC3)C(O)C(O)C1OAglycone:
Oc1ccc2cc1Oc1ccc(cc1)CCC(O)CCCC2Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.67 |
| AlogP: | -2.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 754.78 | Num_heavy_atoms: | 53 |
| TPSA: | 266.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD09524
Formula: C19H22O3
Smiles:
Oc1ccc2cc1Oc1ccc(cc1)CCC(O)CCCC2| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.37 |
| AlogP: | 4.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 298.38 | Num_heavy_atoms: | 22 |
| TPSA: | 49.69 | NumAromaticRings: | 2 |
