Glycoside
GD140303
Name:
2-({4-hydroxy-2-oxatricyclo[13.2.2.1³,â·]icosa-1(17),3(20),4,6,15,18-hexaen-10-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C25H32O8Smiles:
OCC1OC(OC2CCCCc3ccc(cc3)Oc3cc(ccc3O)CC2)C(O)C(O)C1OAglycone:
Oc1ccc2cc1Oc1ccc(cc1)CCCCC(O)CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 460.52 | Num_heavy_atoms: | 33 |
| TPSA: | 128.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD15046
Formula: C19H22O3
Smiles:
Oc1ccc2cc1Oc1ccc(cc1)CCCCC(O)CC2| 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 |
