Glycoside
GD122437
Name:
2-({4,10-dihydroxy-18-methoxy-2-oxatricyclo[13.2.2.1³,â·]icosa-1(17),3(20),4,6,15,18-hexaen-9-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H34O10Smiles:
COc1cc2ccc1Oc1cc(ccc1O)CC(OC1OC(CO)C(O)C(O)C1O)C(O)CCCC2Aglycone:
COc1cc2ccc1Oc1cc(ccc1O)CC(O)C(O)CCCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 506.55 | Num_heavy_atoms: | 36 |
| TPSA: | 158.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD49333
Formula: C20H24O5
Smiles:
COc1cc2ccc1Oc1cc(ccc1O)CC(O)C(O)CCCC2| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 344.41 | Num_heavy_atoms: | 25 |
| TPSA: | 79.15 | NumAromaticRings: | 2 |
