Glycoside
GD154458
Name:
2-{[2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹â¸.0â´,¹â·.0âµ,¹â´.0â¸,¹³]tetracos-15-en-10-yl]oxy}oxane-3,4,5-triolFormula:
C35H56O8Smiles:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(OC7OCC(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1Aglycone:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 604.83 | Num_heavy_atoms: | 43 |
| TPSA: | 128.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD00452
Formula: C30H48O4
Smiles:
CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)C6CCC5(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 |
