Glycoside
GD120467
Name:
2-{[6-(hydroxymethyl)-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triolFormula:
C42H72O14Smiles:
CC(C)(O)C1CCC(C)(C2CCC3(C)C2CCC2C4(C)CCC(OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C(C)(CO)C4CCC23C)O1Aglycone:
CC(C)(O)C1CCC(C)(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(CO)C4CCC23C)O1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 801.02 | Num_heavy_atoms: | 56 |
| TPSA: | 228.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD48171
Formula: C30H52O4
Smiles:
CC(C)(O)C1CCC(C)(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(CO)C4CCC23C)O1| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 5.71 | Num_rotatable_bonds: | 3 |
| MolWt: | 476.74 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
