Glycoside
GD150600
Name:
4-methoxy-4',5,6',12',17',17'-hexamethyl-18'-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,6,9'-trioxaspiro[bicyclo[3.1.0]hexane-2,8'-hexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docosan]-13'-en-3'-yl acetateFormula:
C38H56O11Smiles:
COC1OC2(CC(C)C3C(CC4(C)C5=CCC6C(C)(C)C(OC7OCC(O)C(O)C7O)CCC67CC57CC(OC(C)=O)C34C)O2)C2OC12CAglycone:
COC1OC2(CC(C)C3C(CC4(C)C5=CCC6C(C)(C)C(O)CCC67CC57CC(OC(C)=O)C34C)O2)C2OC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 9 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 688.86 | Num_heavy_atoms: | 49 |
| TPSA: | 145.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD60140
Formula: C33H48O7
Smiles:
COC1OC2(CC(C)C3C(CC4(C)C5=CCC6C(C)(C)C(O)CCC67CC57CC(OC(C)=O)C34C)O2)C2OC12C| HBA: | 7 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 5.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 556.74 | Num_heavy_atoms: | 40 |
| TPSA: | 86.75 | NumAromaticRings: | 0 |
