Glycoside
GD118330
Name:
{6-[2-(1,4-dihydroxycyclohexyl)ethoxy]-3,4,5-trihydroxyoxan-2-yl}methyl 2-(4-hydroxyphenyl)acetateFormula:
C22H32O10Smiles:
O=C(Cc1ccc(O)cc1)OCC1OC(OCCC2(O)CCC(O)CC2)C(O)C(O)C1OAglycone:
COC(=O)Cc1ccc(O)cc1.OCCC1(O)CCC(O)CC1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 456.49 | Num_heavy_atoms: | 32 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD02427
Formula: C9H10O3
Smiles:
COC(=O)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD47301
Formula: C8H16O3
Smiles:
OCCC1(O)CCC(O)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 2 |
| MolWt: | 160.21 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
