Glycoside
GD147278
Name:
methyl 6-({6,10,10,14,15,21,21-heptamethyl-25-oxo-3,24-dioxaheptacyclo[16.5.2.0¹,¹âµ.0²,â´.0âµ,¹â´.0â¶,¹¹.0¹â¸,²³]pentacosan-9-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylateFormula:
C37H56O10Smiles:
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3C3OC3C35OC(=O)C6(CCC(C)(C)CC63)CCC45C)C2(C)C)C(O)C(O)C1OAglycone:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1Sugarmoiety:
COC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.95 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 660.85 | Num_heavy_atoms: | 47 |
| TPSA: | 144.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD05043
Formula: C30H46O4
Smiles:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1| HBA: | 4 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.97 |
| AlogP: | 5.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 59.06 | NumAromaticRings: | 0 |
