Glycoside
GD130246
Name:
2-{[1,7-bis(4-hydroxyphenyl)heptan-3-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triolFormula:
C31H44O12Smiles:
CC1OC(OCC2OC(OC(CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
Oc1ccc(CCCCC(O)CCc2ccc(O)cc2)cc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 13 |
| MolWt: | 608.68 | Num_heavy_atoms: | 43 |
| TPSA: | 198.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD14010
Formula: C19H24O3
Smiles:
Oc1ccc(CCCCC(O)CCc2ccc(O)cc2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 3.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 300.4 | Num_heavy_atoms: | 22 |
| TPSA: | 60.69 | NumAromaticRings: | 2 |
