Glycoside
GD142929
Name:
6,10,10,14,15,21,21-heptamethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,24-dioxaheptacyclo[16.5.2.0¹,¹âµ.0²,â´.0âµ,¹â´.0â¶,¹¹.0¹â¸,²³]pentacosan-25-oneFormula:
C35H54O8Smiles:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(OC7OCC(O)C(O)C7O)CCC6(C)C5C5OC5C4(OC2=O)C3C1Aglycone:
CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(O)CCC6(C)C5C5OC5C4(OC2=O)C3C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 8 |
| HBD: | 3 | FractionCSP3: | 0.97 |
| AlogP: | 4.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 602.81 | Num_heavy_atoms: | 43 |
| TPSA: | 117.98 | 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 |
