Glycoside
GD138998
Name:
3-{[5-(acetyloxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6,6,10-tetramethyl-15-(4,5,6-trihydroxy-6-methylheptan-2-yl)pentacyclo[12.3.1.0¹,¹â´.0²,¹¹.0âµ,¹â°]octadecan-7-yl acetateFormula:
C40H66O12Smiles:
CC(=O)OC1C(CO)OC(OC2CC3C(C)(C)C(OC(C)=O)CCC3(C)C3CCC45CC4(CCC5C(C)CC(O)C(O)C(C)(C)O)C23C)C(O)C1OAglycone:
CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC24CC23CCC4C(C)CC(O)C(O)C(C)(C)O)C1(C)CSugarmoiety:
CC(=O)OC1C(CO)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 10 |
| MolWt: | 738.96 | Num_heavy_atoms: | 52 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD02508
Formula: C32H54O6
Smiles:
CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC24CC23CCC4C(C)CC(O)C(O)C(C)(C)O)C1(C)C| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 4.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 534.78 | Num_heavy_atoms: | 38 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
