Glycoside
GD134857
Name:
7Beta-Xylosyltaxol DFormula:
C49H61O18NSmiles:
CCCC(O)=NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(OC4OCC(O)C(O)C4O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)CAglycone:
CCCC(O)=NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 13 |
| MolWt: | 952.02 | Num_heavy_atoms: | 68 |
| TPSA: | 283.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD54552
Formula: C44H53O14N
Smiles:
CCCC(O)=NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C| HBA: | 15 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 4.06 | Num_rotatable_bonds: | 11 |
| MolWt: | 819.9 | Num_heavy_atoms: | 59 |
| TPSA: | 224.78 | NumAromaticRings: | 2 |
