Glycoside
GD125207
Name:
2-{[2-(4-hydroxy-3-methoxycyclohexa-1,5-dien-1-yl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C26H36O11Smiles:
COc1cc(CCCO)cc2c1OC(C1=CC(OC)C(O)C=C1)C2COC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(CCCO)cc2c1OC(C1=CC(OC)C(O)C=C1)C2COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 10 |
| MolWt: | 524.56 | Num_heavy_atoms: | 37 |
| TPSA: | 167.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD46726
Formula: C20H26O6
Smiles:
COc1cc(CCCO)cc2c1OC(C1=CC(OC)C(O)C=C1)C2CO| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 362.42 | Num_heavy_atoms: | 26 |
| TPSA: | 88.38 | NumAromaticRings: | 1 |
