Glycoside
GD139481
Name:
2-({8-hydroxy-4,7,12,17,17-pentamethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]-9-oxahexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosan-14-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C37H60O13Smiles:
CC1CC2C(CC3(C)C4C(OC5OC(CO)C(O)C(O)C5O)CC5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46CCC23C)OC1OAglycone:
CC1CC2C(CC3(C)C4C(O)CC5C(C)(C)C(O)CCC56CC46CCC23C)OC1OSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 5 |
| MolWt: | 712.87 | Num_heavy_atoms: | 50 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD56244
Formula: C26H42O4
Smiles:
CC1CC2C(CC3(C)C4C(O)CC5C(C)(C)C(O)CCC56CC46CCC23C)OC1O| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 418.62 | Num_heavy_atoms: | 30 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
