Glycoside
GD142943
Name:
2-(hydroxymethyl)-6-{4-[3-(hydroxymethyl)-7-(3-hydroxyprop-1-en-1-yl)-5-methoxy-2,3-dihydro-1,4-benzodioxin-2-yl]-2-methoxyphenoxy}oxane-3,4,5-triolFormula:
C26H32O12Smiles:
COc1cc(C2Oc3cc(C=CCO)cc(OC)c3OC2CO)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2Oc3cc(C=CCO)cc(OC)c3OC2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 9 |
| MolWt: | 536.53 | Num_heavy_atoms: | 38 |
| TPSA: | 176.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD57509
Formula: C20H22O7
Smiles:
COc1cc(C2Oc3cc(C=CCO)cc(OC)c3OC2CO)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 374.39 | Num_heavy_atoms: | 27 |
| TPSA: | 97.61 | NumAromaticRings: | 2 |
