Glycoside
GD137116
Name:
2-{[2-({2-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy}oxane-3,4,5-triolFormula:
C25H38O16Smiles:
CC1OC(OC2C(O)C(CO)OC(OCCc3ccc(O)c(O)c3)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1OAglycone:
OCCc1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.76 |
| AlogP: | -4.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 594.56 | Num_heavy_atoms: | 41 |
| TPSA: | 257.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
