Glycoside
GD141969
Name:
2-{4-[7-hydroxy-2,3-bis(hydroxymethyl)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenoxy}oxane-3,4,5-triolFormula:
C26H34O11Smiles:
COc1cc(C2c3cc(O)c(OC)c(OC)c3CC(CO)C2CO)ccc1OC1OCC(O)C(O)C1OAglycone:
COc1cc(C2c3cc(O)c(OC)c(OC)c3CC(CO)C2CO)ccc1OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 8 |
| MolWt: | 522.55 | Num_heavy_atoms: | 37 |
| TPSA: | 167.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD57154
Formula: C21H26O7
Smiles:
COc1cc(C2c3cc(O)c(OC)c(OC)c3CC(CO)C2CO)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 390.43 | Num_heavy_atoms: | 28 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
