Glycoside
GD144234
Name:
2-[(2-{16',16'-dimethoxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C41H68O15Smiles:
COC1(OC)CCC2(C)C(C1)C(OC1OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C1O)CC1C2CCC2(C)C1CC1OC3(CCC(C)CO3)C(C)C12Aglycone:
COC1(OC)CCC2(C)C(C1)C(O)CC1C2CCC2(C)C1CC1OC3(CCC(C)CO3)C(C)C12Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 800.98 | Num_heavy_atoms: | 56 |
| TPSA: | 215.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD57976
Formula: C29H48O5
Smiles:
COC1(OC)CCC2(C)C(C1)C(O)CC1C2CCC2(C)C1CC1OC3(CCC(C)CO3)C(C)C12| HBA: | 5 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 5.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 476.7 | Num_heavy_atoms: | 34 |
| TPSA: | 57.15 | NumAromaticRings: | 0 |
