Glycoside
GD144822
Name:
2-{[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}-6-methyloxane-3,4,5-triolFormula:
C36H58O7Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(C)(C)CC63)CCC45C)C2(C)CO)C(O)C(O)C1OAglycone:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(CO)C(O)CCC6(C)C5C=CC4(OC2)C3C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 4.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 602.85 | Num_heavy_atoms: | 43 |
| TPSA: | 108.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD47583
Formula: C30H48O3
Smiles:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(CO)C(O)CCC6(C)C5C=CC4(OC2)C3C1| HBA: | 3 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 6.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 49.69 | NumAromaticRings: | 0 |
