Glycoside
GD040113
Name:
spliceostatin a (form ii)Formula:
C28H45O8NSmiles:
CO[C@@]1(C)C[C@@](C)(O)[C@H](O)[C@@H](C=CC(C)=CC[C@@H]2O[C@H](C)[C@H](NC(=O)C=C[C@H](C)OC(C)=O)C[C@H]2C)O1Aglycone:
C=CC(C)=CCC1OC(C)C(NC(=O)C=CC(C)OC(C)=O)CC1CSugarmoiety:
COC1(C)CC(C)(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 523.67 | Num_heavy_atoms: | 37 |
| TPSA: | 123.55 | NumAromaticRings: | 0 |
Unique Aglycone
AD04853
Formula: C20H31O4N
Smiles:
C=CC(C)=CCC1OC(C)C(NC(=O)C=CC(C)OC(C)=O)CC1C| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 349.47 | Num_heavy_atoms: | 25 |
| TPSA: | 64.63 | NumAromaticRings: | 0 |
