Glycoside
GD116296
Name:
2-[({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triolFormula:
C25H38O15Smiles:
CC1OC(OCC2OC(OCCc3ccc(O)cc3)C(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1OAglycone:
OCCc1ccc(O)cc1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.76 |
| AlogP: | -3.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 578.56 | Num_heavy_atoms: | 40 |
| TPSA: | 237.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD03863
Formula: C8H10O2
Smiles:
OCCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
