Glycoside
GD035453
Name:
DOLASTATIN 19Formula:
C29H45O10BrSmiles:
CO[C@@H]1C=C(C)C[C@H](C=CC=CBr)OC(=O)[C@H](C)[C@]2(O)C[C@H](O[C@@H]3O[C@H](C)[C@H](OC)[C@H](O)[C@H]3OC)[C@H](C)[C@H](C1)O2Aglycone:
COC1C=C(C)CC(C=CC=CBr)OC(=O)C(C)C2(O)CC(O)C(C)C(C1)O2Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 633.57 | Num_heavy_atoms: | 40 |
| TPSA: | 122.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD22428
Formula: C21H31O6Br
Smiles:
COC1C=C(C)CC(C=CC=CBr)OC(=O)C(C)C2(O)CC(O)C(C)C(C1)O2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 459.38 | Num_heavy_atoms: | 28 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
