Glycoside
GD154499
Name:
3'-O-Acetyl-23-Epi-26-DeoxyacteinFormula:
C39H58O11Smiles:
CC(=O)OC1C(O)COC(OC2CCC34CC35CC(OC(C)=O)C3(C)C6C(C)CC7(OCC8(C)OC87)OC6CC3(C)C5CCC4C2(C)C)C1OAglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OCC1(C)OC14Sugarmoiety:
CC(=O)OC1C(O)COC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 9 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 702.88 | Num_heavy_atoms: | 50 |
| TPSA: | 142.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD03968
Formula: C32H48O6
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CCC3C2(C)CC3OC4(CC(C)C3C12C)OCC1(C)OC14| HBA: | 6 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 0.97 |
| AlogP: | 5.25 | Num_rotatable_bonds: | 1 |
| MolWt: | 528.73 | Num_heavy_atoms: | 38 |
| TPSA: | 77.52 | NumAromaticRings: | 0 |
