Glycoside
GD139560
Name:
(6-{[7-(acetyloxy)-2,6,6,10-tetramethyl-15-(4-oxobutan-2-yl)pentacyclo[12.3.1.0¹,¹â´.0²,¹¹.0âµ,¹â°]octadecan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetateFormula:
C36H56O10Smiles:
CC(=O)OCC1OC(OC2CC3C(C)(C)C(OC(C)=O)CCC3(C)C3CCC45CC4(CCC5C(C)CC=O)C23C)C(O)C(O)C1OAglycone:
CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC24CC23CCC4C(C)CC=O)C1(C)C.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 648.83 | Num_heavy_atoms: | 46 |
| TPSA: | 148.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD56277
Formula: C28H44O4
Smiles:
CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC24CC23CCC4C(C)CC=O)C1(C)C| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.66 | Num_heavy_atoms: | 32 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
