Glycoside
GD140708
Name:
2-[(3,5-dihydroxy-2-{[2-hydroxy-7-(hydroxymethyl)-4,5,7,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³]tetracos-15-en-10-yl]oxy}-6-methyloxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H68O13Smiles:
CC1OC(OC2CCC3(C)C(C2)C(C)(CO)CC2(C)C3C=CC34OCC5(CCC(C)(C)CC53)C(O)CC24C)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)CC6C(C)(CO)CC5(C)C4(C)CC2O)C3C1Sugarmoiety:
CC1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.95 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 780.99 | Num_heavy_atoms: | 55 |
| TPSA: | 207.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD52516
Formula: C30H48O4
Smiles:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)CC6C(C)(CO)CC5(C)C4(C)CC2O)C3C1| HBA: | 4 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | 5.1 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.71 | Num_heavy_atoms: | 34 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
