Glycoside
GD116669
Name:
2,9,10-trihydroxy-12-(hydroxymethyl)-4,6,17,17-tetramethyl-18-[(3,4,5-trihydroxyoxan-2-yl)oxy]hexacyclo[11.9.0.0¹,²¹.0â´,¹².0âµ,¹â°.0¹â¶,²¹]docos-13-en-8-oneFormula:
C32H48O10Smiles:
CC1CC(=O)C(O)C2(O)CC3(CO)C4=CCC5C(C)(C)C(OC6OCC(O)C(O)C6O)CCC56CC46C(O)CC3(C)C12Aglycone:
CC1CC(=O)C(O)C2(O)CC3(CO)C4=CCC5C(C)(C)C(O)CCC56CC46C(O)CC3(C)C12Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 592.73 | Num_heavy_atoms: | 42 |
| TPSA: | 177.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD46375
Formula: C27H40O6
Smiles:
CC1CC(=O)C(O)C2(O)CC3(CO)C4=CCC5C(C)(C)C(O)CCC56CC46C(O)CC3(C)C12| HBA: | 6 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 460.61 | Num_heavy_atoms: | 33 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
