Glycoside
GD149399
Name:
2-{[2,21-dihydroxy-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:
C36H58O9Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CC(O)C(C)(C)CC63)C(O)CC45C)C2(C)CO)C(O)C(O)C1OAglycone:
CC1(C)CC2C3(COC24C=CC2C5(C)CCC(O)C(C)(CO)C5CCC2(C)C4(C)CC3O)CC1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 634.85 | Num_heavy_atoms: | 45 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD56723
Formula: C30H48O5
Smiles:
CC1(C)CC2C3(COC24C=CC2C5(C)CCC(O)C(C)(CO)C5CCC2(C)C4(C)CC3O)CC1O| HBA: | 5 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
